Socket activation is the idea of activating a daemon or service not by manually starting it, but by merely pre-exposing the socket that is used for communication with that service. This has several advantages:

• system boot speeds up as less things need to actually be started at boot time
• system resource usage is reduced as less services actually run¹
• you can restart services behind the socket invisible to the client (if the service gracefully takes up the connection on the socket again) without loosing messages²

The two requirements for this are:

• a daemon that manages these sockets and activates the corresponding process once communication happens
• the socket-activated daemon being able to work with a preestablished socket-connection

For the first part, systemd got us covered. The second part must be implemented in the daemon code, but we can regardless activate any socket based service, even if they don’t implement socket activation themselves with a little help. Let’s take a look at how things work in this order.

Systemd socket activation: The principle

This will be a brief rundown on how systemd’s socket activation works (see here for all the details):

To activate a service via its socket, we need to define two units: the service and the socket. A socket can be a network socket, a unix socket and several other connection types. In this post, however, we will exemplarily focus on network sockets. We place the service file of our socket-activatable service (we will come back to what this means in a moment) as /etc/systemd/system/myservice.service:

[Unit]
Description=Socket-activatable example service

[Service]
ExecStart=/usr/bin/myservice
NonBlocking=True

and we place the corresponding socket unit (in this case a TCP-network-socket) as /etc/systemd/system/myservice.socket:

[Unit]
Description=Socket for example service

[Socket]
# In this example we only listen on localhost
ListenStream=127.0.0.1:1234
NoDelay=true

[Install]
WantedBy=sockets.target

Note that the service does not require an install section, only the socket does³. We then enable our socket via systemctl enable --now myservice.socket.

Now we have an inactive service unit, but an active socket which is set up by systemd. The moment any activity occurs on this socket, systemd will start myservice.service and hand over the socket, buffering what is already written to it until the service takes over.

Leveraging socket activation in practice

In practice, we can distinguish three different cases:

1. Socket activation natively supported already

If the service in question already natively supports socket activation, simply activate the corresponding socket unit (or create one if it doesn’t exist yet). See systemctl list-units | grep socket for socket-units already available on the system.

2. Fault tolerance and boot time optimization desired only

If our service is intended to be started at boot and socket activation is intended only to provide transparent restarts and boot parallelization, we can simply use systemd’s systemd-socket-proxyd. See man systemd-socket-proxyd or here for details and usage examples.

Make sure you add an [Install]-section to the service file and enable the service itself as well then as systemd-socket-proxyd merely decouples the service unit from its socket, but doesn’t start it automatically.

3. On-demand starting and stopping of arbitrary services

If our service does not support socket activation natively and we want it to start not at boot time, but on-demand, we can use the tool socket-activate. For this, configure actual.service to listen on localhost on a different port such as 127.0.0.1:12345 and create two units: socket-activate-actual.service containing

[Unit]
Description=Socket-activate proxy for example service

[Service]
ExecStart=/usr/bin/socket-activate -u "actual.service" -a "127.0.0.1:12345"
NonBlocking=True

as well as a corresponding socket-activate-actual.socket as noted above, listening on the actual desired port. On the first connection to the socket, socket-activate-actual.service will be started and in turn start actual.service, proxying all traffic to it.

If socket-activate is invoked with an additional -t <timeout>, then both socket-activate-actual.service as well as actual.service are stopped again when no activity is detected for the specified timeout.

Fortunately the general lockdown due to the Corona pandemic slowly starts to ease around Paris as well. While basically all seminars are only virtual it is good to see old procedures and habits to slowly return. From my end I gave the first talk after the forced break today in the EMC2 group meeting.

Since it was the first time discussing DFTK in the EMC2 synergy group I decided to talk about it taking the angle of tackling an actual research problem. After presenting briefly DFT methods and DFTK in the first half of the talk, I therefore focused on one of my ongoing projects with Antoine Levitt, namely constructing better preconditioners for the self-consistent field (SCF) iterations in mixed systems. What is meant by mixed systems are systems where locally differing dielectric properties are found, i.e. where some parts of the material are insulating, others may be metallic or semiconductors. Since the dielectric properties are closely related to the spectrum of the SCF fixed-point map, they therefore also control the convergence properties of SCF procedures. For metals and (to a minor extent) semiconductors simple SCF procedures, where one just applies the SCF cycle over and over require extremely small step sizes (i.e. small damping values). As a result the SCF converges only very slowly. The remedy is to precondition the spectrum of the SCF map itself by using so-called mixing techniques. In state-of-the-art approaches these are usually material-specific, i.e. different mixings are used for insulators, metals or semiconductors. This is fine for bulk materials, but fails in case of mixed systems, since one has to globally select a single approach. Our recent work has been to investigate the spectrum of the SCF map and to try and construct a preconditioner which locally adapts and as a result is able to properly treat mixed systems as well. The results I presented today are, however, not yet final and more investigations are to be underdone for our approach to work as reliable as we want.

Link	Licence
SCF preconditioning for mixed systems: A DFTK case study (Slides)
A few DFTK examples (Jupyter notebook)
SCF preconditioners in 1D (Jupyter notebook)

For my programming stream at twitch.tv/stapelberg, I wanted to add an additional camera to show test devices, electronics projects, etc. I couldn’t find my old webcam, and new ones are hard to come by currently, so I figured I would try to include a phone camera somehow.

The setup that I ended up with is:

iPhone camera
→ Instant Webcam
→ WiFi
→ gstreamer
→ v4l2loopback
→ OBS

Disclaimer: I was only interested in a video stream! I don’t think this setup would be helpful for video conferencing, due to lacking audio/video synchronization.

iPhone Software: Instant Webcam app

I’m using the PhobosLab Instant Webcam (install from the Apple App Store) app on an old iPhone 8 that I bought used.

There are three interesting related blog posts by app author Dominic Szablewski:

1. MPEG1 Video Decoder in JavaScript (2013-May)
2. HTML5 Live Video Streaming via WebSockets (2013-Sep)
3. Decode it like it’s 1999 (2017-Feb)

As hinted at in the blog posts, the way the app works is by streaming MPEG1 video from the iPhone (presumably via ffmpeg?) to the jsmpeg JavaScript library via WebSockets.

After some git archeology, I figured out that jsmpeg was rewritten in commit 7bf420fd just after v0.2. You can browse the old version on GitHub.

Notably, the Instant Webcam app seems to still use the older v0.2 version, which starts WebSocket streams with a custom 8-byte header that we need to strip.

Linux Software

Install the v4l2loopback kernel module, e.g. community/v4l2loopback-dkms on Arch Linux or v4l2loopback-dkms on Debian. I used version 0.12.5-1 at the time of writing.

Then, install gstreamer and required plugins. I used version 1.16.2 for all of these:

• gstreamer
• gst-plugins-bad for mpegvideoparse
• gst-libav for avdec_mpeg2video

Lastly, install either websocat or wsta for accessing WebSockets. I successfully tested with websocat 1.5.0 and wsta 0.5.0.

Streaming

First, load the v4l2loopback kernel module:

% sudo modprobe v4l2loopback video_nr=10 card_label=v4l2-iphone

Then, we’re going to use gstreamer to decode the WebSocket MPEG1 stream (after stripping the custom 8-byte header) and send it into the /dev/video10 V4L2 device, to the v4l2loopback kernel module:

% websocat --binary ws://iPhone.lan/ws | \
  dd bs=8 skip=1 | \
  gst-launch-1.0 \
    fdsrc \
    ! queue \
    ! mpegvideoparse \
    ! avdec_mpeg2video \
    ! videoconvert \
    ! videorate \
    ! 'video/x-raw, format=YUY2, framerate=30/1' \
    ! v4l2sink device=/dev/video10 sync=false

Here are a couple of notes about individual parts of this pipeline:

• You must set websocat (or the alternative wsta) into binary mode, otherwise they will garble the output stream with newline characters, resulting in a seemingly kinda working stream that just displays garbage. Ask me how I know.

• The queue element uncouples decoding from reading from the network socket, which should help in case the network has intermittent troubles.

• Without enforcing framerate=30/1, you cannot cancel and restart the gstreamer pipeline: subsequent invocations will fail with streaming stopped, reason not-negotiated (-4)

• Setting format YUY2 allows ffmpeg-based decoders to play the stream. Without this setting, e.g. ffplay will fail with [ffmpeg/demuxer] video4linux2,v4l2: Dequeued v4l2 buffer contains 462848 bytes, but 460800 were expected. Flags: 0x00000001.

• The sync=false property on v4l2sink plays frames as quickly as possible without trying to do any synchronization.

Now, consumers such as OBS (Open Broadcaster Software), ffplay or mpv can capture from /dev/video10:

% ffplay /dev/video10
% mpv av://v4l2:/dev/video10 --profile=low-latency

Debugging

Hopefully the instructions above just work for you, but in case things go wrong, maybe the following notes are helpful.

To debug issues, I used the GST_DEBUG_DUMP_DOT_DIR environment variable as described on Debugging tools: Getting pipeline graphs. In these graphs, you can quickly see which pipeline elements negotiate which caps.

I also used the PL_MPEG example program to play the supplied MPEG test file. PL_MPEG is written by Dominic Szablewski as well, and you can read more about it in Dominic’s blog post MPEG1 Single file C library. I figured the codec and parameters might be similar between the different projects of the same author and used this to gain more confidence into the stream parameters.

I also used Wireshark to look at the stream traffic to discover that websocat and wsta garble the stream output by default unless the --binary flag is used.

After we released a preliminary snapshot of DFTK last year our focus in the first half of this year was on using it for some new science. Recently, however, we got back into polishing our code base and our documentation in order to get DFTK ready for a wider audience. Today I am proud to announce that DFTK 0.1.0 has been accepted into the Julia Package repository, such that the package can now be readily installed within the Julia ecosystem.

Let me take this opportunity to recapitulate on DFTK: I started the code with Antoine Levitt about a year ago when I moved to Paris. What we had in mind was to create a simple platform for methodological developments in density functional theory (DFT). Clearly our code should support the interdisciplinary requirements of the field, where advances are often the result from devising chemically and physically sound models, using mathematical insight for suggesting stable algorithms and then scaling them up to the high-performance regime. This means that we would need both (a) the flexibility to mix and match models and numerical approaches by keeping the code high-level and similar to a scripting language and (b) access to the usual tricks (vectorisation, GPUs, threading, distributed computing) to tweak performance down to the metal.

In Julia we found a language which suits these aims perfectly. This is illustrated by the fact that after only a good year of development we already support a sizable number of features in only about 5k lines of source code. Right now the focus of DFTK is on DFT ground-state simulations for solids (LDA/GGA in a plane-wave basis with GTH pseudopotentials) with more to come. Special care is taken to have a simple and clean codebase, well-commented and suitable for teaching or extensions (other models, basis, etc.). DFT is not hard-coded, and other similar models can be computed with DFTK (for instance, the 2D Gross-Pitaevskii equation with a magnetic field). Nevertheless, the performance is comparable with that of established plane-wave DFT codes, usually within a factor of 2. DFTK is fully multithreaded, although not distributed (yet). We also include interfaces with various codes (ASE, pymatgen, abipy...) for easy workflows and to integrate to the world beyond the Julia ecosystem. See for example the asedftk python package, which integrates DFTK into the atomistic simulation environment.

The code is of course fully open source and installation is easy. Since it is intended as a platform for multidisciplinary collaboration, we welcome any question, suggestion or addition. Feel free to get in touch by opening an issue at any time.

I generally enjoy reading the uses this blog, and recently people have been talking about desk setups in my bubble (and on my Twitch stream), so I figured I’d write a post about my current setup!

Desk setup

I’m using a desk I bought at IKEA well over 10 years ago. I’m not using a standing desk: while I have one at work, I never change its height. Just never could get into the habit.

I was using an IKEA chair as well for many years.

Currently, I’m using a Haworth Comforto 89 chair that I bought second-hand. Unfortunately, the arm rests are literally crumbling apart and the lumbar back support and back rest in general are not as comfortable as I would like.

Hence, I recently ordered a Vitra ID Mesh chair, which I have used for a couple of years at the office before moving office buildings. It will take a few weeks before the chair arrives.

The most important aspect of the desk/chair setup for me are the arm rests. I align them with the desk height so that I can place my arms at a 90 degree angle, eliminating strain.

Peripherals

Note: all of my peripherals are Plug & Play under Linux and generally work with standard drivers across Windows, macOS and Linux.

Monitor: Dell 8K4K monitor (UP3218K)

The most important peripheral of a computer is the monitor: you stare at it all the time. Even when you’re not using your keyboard or mouse, you’re still looking at your monitor.

Ever since I first used a MacBook Pro with Retina display back in 2013, I’ve been madly in love with hi-DPI displays, and have gradually replaced all displays in my day-to-day with hi-DPI displays.

My current monitor is the Dell UP3218K, an 8K4K monitor (blog post).

Dell introduced the UP3218K in January 2017. It is the world’s first available 8K monitor, meaning it has a resolution of 7680x4320 pixels at a refresh rate of 60 Hz. The display’s dimensions are 698.1mm by 392.7mm (80cm diagonal, or 31.5 inches), meaning the display shows 280 dpi.

I run it in 300% scaling mode (Xft.dpi: 288), resulting in incredibly crisp text.

Years ago, I used multiple monitors (sometimes 3, usually 2). I stopped doing that in 2011/2012, when I lived in Dublin for half a year and decided to get only one external monitor for practical and cost reasons.

I found that using only one monitor allows me to focus more on what I’m doing, and I don’t miss anything about a multi-monitor setup.

Keyboard: Kinesis advantage keyboard

The Kinesis is my preferred commercially available ergonomic keyboard. I like its matrix layout, ergonomic key bowls, thumb pads and split hands.

I find typing on it much more comfortable than regular keyboards, and I value the Kinesis enough to usually carry one with me when I travel. When I need to use a laptop keyboard for longer periods of time, my hands and arms get tired.

I bought my first one in 2008 for ≈250 EUR, but have since cleaned up and repaired two more Kinesis keyboards that were about to be trashed. Now I have one for home, one for work, and one for traveling (or keyboard development).

Over the years, I have modified my Kinesis keyboards in various ways:

The first modification I did was to put in Cherry MX blue key switches (tactile and audible), replacing the default Cherry MX browns. I like the quick feedback of the blues better, possibly because I was used to them from my previous keyboards. Without tons of patience and good equipment, it’s virtually impossible to unsolder the key switches, so I reached out to Kinesis, and they agreed to send me unpopulated PCBs into which I could solder my preferred key switches! Thank you, Kinesis.

I later replaced the keyboard controller to address a stuck modifier bug. The PCB I made for this remains popular in the Kinesis modification community to this day.

In 2018, I got interested in keyboard input latency and developed kinX, a new version of my replacement keyboard controller. With this controller, the keyboard has an input latency of merely 0.225ms in the worst case.

Aside from the keyboard hardware itself, I’m using the NEO Ergonomically Optimized keyboard layout. It’s optimized for German, English, Programming and Math, in that order. Especially its upper layers are really useful: hover over “Ebene 3” to see.

I used to remap keys in hardware, but that doesn’t cover the upper layers, so nowadays I prefer just enabling the NEO layout included in operating systems.

Pointing device: Logitech MX Ergo

During my student years (2008 to 2013), I carried a ThinkPad X200 and used its TrackPoint (“red dot”) in combination with trying to use lots of keyboard shortcuts.

The concept of relative inputs for mouse movement made sense to me, so I switched from a mouse to a trackball on the desktop, specifically the Logitech Trackball M570.

I was using the M570 for many years, but have switched to the Logitech MX Ergo a few months ago. It is more comfortable to me, so I replaced all 3 trackballs (home, office, travel) with the MX Ergo.

In terms of precision, a trackball will not be as good as a mouse can be. To me, it more than makes up for the fact by reducing the strain on my hands and wrists.

For comparison: a few years ago, I was playing a shooter with a regular mouse for one evening (mostly due to nostalgia), and I could feel pain from that for weeks afterwards.

Microphone: RØDE Podcaster

To record screencasts for the i3 window manager with decent audio, I bought a RØDE Podcaster USB Broadcast Mic in 2012 and have been using it ever since.

The big plus is that the setup couldn’t be easier: you connect it via USB, and it is Plug & Play on Linux. This is much easier than getting a working setup with XLR audio gear.

The audio quality is good: much better than headsets or cheap mics, but probably not quite as good as a more expensive studio mic. For my usage, this is fine: I don’t record radio broadcasts regularly, so I don’t need the absolutely highest quality, and for video conferences or the occasional podcast, the RØDE Podcaster is superb.

Webcam: Logitech C920

In the past, I have upgraded my webcam every so often because higher resolutions at higher frame rates became available for a reasonably low price.

I’m currently using the Logitech HD Pro Webcam C920, and I’m pretty happy with it. The picture quality is good, the device is Plug & Play under Linux and the picture quality is good out of the box. No fumbling with UVC parameters or drivers required :-)

Note: to capture at 30 fps at the highest resolution, you may need to specify the pixel format: https://wiki.archlinux.org/index.php/webcam_setup#mpv

Headphones: Sony WH-1000XM3

At work, I have been using the Bose QuietComfort 15 Noise Cancelling headphones for many years, as they were considered the gold standard for noise cancelling headphones.

I decided to do some research and give bluetooth headphones a try, in the hope that the technology has matured enough.

I went with the Sony WH-1000XM3 bluetooth headphones, and am overall quite happy with them. The lack of a cable is very convenient indeed, and the audio quality and noise cancellation are both superb. A single charge lasts me for multiple days.

Switching devices is a bit cumbersome: when I have the headphones connected to my phone and want to switch to my computer, I need to explicitly disconnect on my phone, then explicitly connect on my computer. I guess this is just how bluetooth works.

One issue I ran into is that when the headphones re-connected to my computer, they would not select the high-quality audio profile until you explicitly disconnect and re-connect again. This was fixed in BlueZ 5.51, so make sure you run at least that version.

USB memory stick: Sandisk Extreme PRO SSD USB 3.1

USB memory sticks are useful for all sorts of tasks, but I mostly use them to boot Linux distributions on my laptop or computer, for development, recovery, updates, etc.

A year ago, I was annoyed by my USB memory sticks being slow, and I found the Sandisk Extreme PRO SSD USB 3.1 which is essentially a little SSD in USB memory stick form factor. It is spec'd at ≈400 MB/s read and write speed, and I do reach about ≈350 MB/s in practice, which is a welcome upgrade from the < 10 MB/s my previous sticks did.

A quick USB memory stick lowers the hurdle for testing distri images on real hardware.

Audio: teufel sound system

My computer is connected to a Teufel Motiv 2 stereo sound system I bought in 2009.

The audio quality is superb, and when I tried to replace them with the Q Acoustics 3020 Speakers (Pair) I ended up selling the Q Acoustics and going back to the Teufel. Maybe I’m just very used to its sound at this point :-)

Physical paper notebook for sketches

I also keep a paper notebook on my desk, but don’t use it a lot. It is good to have it for ordering my thoughts when the subject at hand is more visual rather than textual. For example, my analysis of the TurboPFor integer compression scheme started out on a bunch of notebook pages.

I don’t get much out of hand writing into a notebook (e.g. for task lists), so I tend to do that in Emacs Org mode files instead (1 per project). I’m only a very light Org mode user.

Laptop: TBD

I’m writing a separate article about my current laptop and will reference the post here once published.

I will say that I mostly use laptops for traveling (to conferences or events) these days, and there is not much travel happening right now due to COVID-19.

Having a separate computer is handy for some debugging activities, e.g. single-stepping X11 applications in a debugger, which needs to be done via SSH.

Internet router and WiFi: router7 and UniFi AP HD

Mostly for fun, I decided to write router7, a highly reliabile, automatically updating internet router entirely in Go, primarily targeting the fiber7 internet service.

While the router could go underneath my desk, I currently keep it on top of my desk. Originally, I placed it in reach to lower the hurdle for debugging, but after the initial development phase, I never had to physically power cycle it.

These days, I only keep it on top of my desk because I like the physical reminder of what I accomplished :-)

For WiFi, I use a UniFi AP HD access point from Ubiquiti. My apartment is small enough that this single access point covers all corners with great WiFi. I’m configuring the access point with the mobile app so that I don’t need to run the controller app somewhere.

In general, I try to connect most devices via ethernet to remove WiFi-related issues from the picture entirely, and reduce load on the WiFi.

Switching peripherals between home and work computer

Like many, I am currently working from home due to COVID-19.

Because I only have space for one 32" monitor and peripherals on my desk, I decided to share them between my personal computer and my work computer.

To make this easy, I got an active Anker 10-port USB3 hub and two USB 3 cables for it: one connected to my personal computer, one to my work computer. Whenever I need to switch, I just re-plug the one cable.

Software setup

Linux

I have been using Linux as my primary operating system since 2005. The first Linux distribution that I installed in 2005 was Ubuntu-based. Later, I switched to Gentoo, then to Debian, which I used and contributed to until quitting the project in March 2019.

I had briefly tried Fedora before, and decided to give Arch Linux a shot now, so that’s what I’m running on my desktop computer right now. My servers remain on Flatcar Container Linux (the successor to CoreOS) or Debian, depending on their purpose.

For me, all Linux package managers are too slow, which is why I started distri: a Linux distribution to research fast package management. I’m testing distri on my laptop, and I’m using distri for a number of development tasks. I don’t want to run it on my desktop computer, though, because of its experimental nature.

Window Manager: i3

It won’t be a surprise that I am using the i3 tiling window manager, which I created in 2009 and still maintain.

My i3 configuration file is pretty close to the i3 default config, with only two major modifications: I use workspace_layout stacked and usually arrange two stacked containers next to each other on every workspace. Also, I configured a volume mode which allows for easily changing the default sink’s volume.

One way in which my usage might be a little unusual is that I always have at least 10 workspaces open.

Go

Over time, I have moved all new development work to Go, which is by far my favorite programming language. See the article for details, but in summary, Go’s values align well with my own: the tooling is quick and high-quality, the language well thought-out and operating at roughly my preferred level of abstraction vs. clarity.

Here is a quick description of a few notable Go projects I started:

Debian Code Search is a regular expression source code search engine covering all software available in Debian.

RobustIRC is an IRC network without netsplits, based on the Raft consensus algorithm.

gokrazy is a pure-Go userland for your Raspberry Pi 3 appliances. It allows you to overwrite an SD card with a Linux kernel, Raspberry Pi firmware and Go programs of your chosing with just one command.

router7 is a pure-Go small home internet router.

debiman generates a static manpage HTML repository out of a Debian archive and powers manpages.debian.org.

The distri research linux distribution project was started in 2019 to research whether a few architectural changes could enable drastically faster package management. While the package managers in common Linux distributions (e.g. apt, dnf, …) top out at data rates of only a few MB/s, distri effortlessly saturates 1 Gbit, 10 Gbit and even 40 Gbit connections, resulting in superior installation and update speeds.

Editor: Emacs

In my social circle, everyone used Vim, so that’s what I learnt. I used it for many years, but eventually gave Emacs a shot so that I could try the best notmuch frontend.

Emacs didn’t immediately click, and I haven’t used notmuch in many years, but it got me curious enough that I tried getting into the habit of using Emacs a few years ago, and now I prefer it over Vim and other editors.

Here is a non-exhaustive list of things I like about Emacs:

1. Emacs is not a modal editor. You don’t need to switch into insert mode before you can modify the text. This might sound like a small thing, but I feel more of a direct connection to the text this way.

2. I like Emacs’s built-in buffer management. I could never get used to using multiple tabs or otherwise arranging my Vim editor window, but with Emacs, juggling multiple things at the same time feels very natural.
   I make heavy use of Emacs’s compile mode (similar to Vim’s quick fix window): I will compile not only programs, but also config files (e.g. M-x compile i3 reload) or grep commands, allowing me to go through matches via M-g M-n.

3. The Magit package is by far my most favorite Git user interface. Staging individual lines or words comes very naturally, and many operations are much quicker to accomplish compared to using Git in a terminal.

4. The eglot package is a good LSP client, making available tons of powerful cross-referencing and refactoring features.

5. The possible customization is impressive, including the development experience: Emacs’s built-in help system is really good, and allows jumping to the definition of variables or functions out of the box. Emacs is the only place in my day-to-day where I get a little glimpse into what it must have been like to use a Lisp machine…

Of course, not everything is great about Emacs. Here are a few annoyances:

1. The Emacs default configuration is very old, and a number of settings need to be changed to make it more modern. I have been tweaking my Emacs config since 2012 and still feel like I’m barely scratching the surface. Many beginners find their way into Emacs by using a pre-configured version of it such as Doom Emacs or Spacemacs.

2. Even after going through great lengths to keep startup fast, Emacs definitely starts much more slowly than e.g. Vim. This makes it not a great fit for trivial editing tasks, such as commenting out a line of configuration on a server via SSH.

For consistency, I eventually switched my shell and readline config from vi key bindings to the default Emacs key bindings. This turned out to be a great move: the Emacs key bindings are generally better tested and more closely resemble the behavior of the editor. With vi key bindings, sooner or later I always ran into frustrating feature gaps (e.g. zsh didn’t support the delete-until-next-x-character Vim command) or similar.

Hardware setup: desktop computer

I should probably publish a separate blog post with PC hardware recommendation, so let me focus on the most important points here only:

I’m using an Intel i9-9900K CPU. I briefly switched to an AMD Ryzen 3900X based on tech news sites declaring it faster. I eventually found out that the Intel i9-9900K actually benchmarks better in browser performance and incremental Go compilation, so I switched back.

To be able to drive the Dell 8K4K monitor, I’m using a nVidia GeForce RTX 2070. I don’t care for its 3D performance, but more video RAM and memory bandwidth make a noticeable difference in how many Chrome tabs I can work with.

To avoid running out of memory, I usually max out memory based on mainboard support and what is priced reasonably. Currently, I’m using 64 GB of Corsair RAM.

For storage, I currently use a Phison Force MP600 PCIe 4 NVMe disk, back from when I tried the Ryzen 3900X. When I’m not trying out PCIe 4, I usually go with the latest Samsung Consumer SSD PRO, e.g. the Samsung SSD 970 PRO. Having a lot of bandwidth and IOPS available is great in general, but especially valuable when e.g. re-generating all manpages or compiling a new distri version from scratch.

I’m a fan of Fractal Design’s Define case series (e.g. the Define R6) and have been using them for many years in many different builds. They are great to work with: no sharp edges, convenient screws and mechanisms, and they result in a quiet computer.

For fans, my choice is Noctua. Specifically, their NH-U14S makes for a great CPU fan, and their NF-A12x25 are great case fans. They cool well and are super quiet!

Network storage

For redundancy, I am backing up my computers to 2 separate network storage devices.

My devices are built from PC Hardware and run Flatcar Linux (previously CoreOS) for automated updates. I put in one hard disk per device for maximum redundancy: any hardware component can fail and I can just use the other device.

The software setup is intentionally kept very simple: I use rsync (with hardlinks) over SSH for backups, and serve files using Samba. That way, backups are just files, immediately available, and accessible from another computer if everything else fails.

Conclusion

I hope this was interesting! If you have any detail questions, feel free to reach out via email or twitter.

If you’re looking for more product recommendations (tech or otherwise), one of my favorite places is the wirecutter.

I just released a new version of distri.

The focus of this release lies on:

• a better developer experience, allowing users to debug any installed package without extra setup steps

• performance improvements in all areas (starting programs, building distri packages, generating distri images)

• better tooling for keeping track of upstream versions

See the release notes for more details.

The distri research linux distribution project was started in 2019 to research whether a few architectural changes could enable drastically faster package management.

While the package managers in common Linux distributions (e.g. apt, dnf, …) top out at data rates of only a few MB/s, distri effortlessly saturates 1 Gbit, 10 Gbit and even 40 Gbit connections, resulting in fast installation and update speeds.

After only a few months of publishing our adcc paper, which introduces the novel algebraic-diagrammatic construction (ADC) code adcc, the package has already found mention in a number of related articles. One example is a manuscript on updates in the Psi4 quantum chemistry package, which features adcc as one of the highlighted community modules. As the paper discusses, the close integration of adcc into the Psi4 ecosystem now allows to start ADC calculations in adcc directly form Psi4's python frontend and its input files. This effectively extends Psi4 by all ADC capabilities adcc offers. Another example is a paper on computing complex polarisabilities for excited states, which especially emphasises the importance adcc has played for simplifying the implementation of the method.

On my end, I recently conducted a study with Thomas Fransson on the error of the core-valence separation (CVS) approximation. This approximation is very important for the simulation of X-ray absorption spectra using accurate wave-function methods like coupled-cluster or ADC. In the literature the error of the CVS approximation is widely accepted to be negligible compared to the error with respect to experiment. This statement is, however, based on previous investigations of the CVS error, which were limited by the methodologies to only small, non-representative basis sets.

In our work we present an iterative post-processing scheme in the ADC context, which is able to undo the CVS approximation and remove the CVS error. Our procedure is still basic (essentially just Rayleigh-Quotient iteration), but it allowed us to study the CVS error for a much larger range of systems and basis sets. This includes augmented and/or core-polarised triple-zeta basis sets as well as other bases prominent in the community to carry out simulations of core-excitations and X-ray spectra (read 6-311++G** and variants). Based on a representative compounds from elements of the second and third period we managed to confirm that the CVS error is not only small compared to experiment but additionally the spread across elements and compounds is even smaller, such that the impact on energy differences is small, too. This is an important finding, since most aspects of chemistry (spectroscopy, reaction barrier heights, thermochemistry) are dominated by energy differences and while relative errors in energies might be small, relative errors in energy differences can be much larger if the error spread across compounds is not uniform.

In particular our work identified the main contributions to the CVS error to originate from two classes of couplings, which are neglected by the CVS approximation and which moreover contribute with opposite sign. We demonstrate that basis sets providing a balanced description of core and valence regions of the electron density are also capable of describing these neglected couplings in a balanced fashion, thus providing not only a good description of the core-excitation process, but also a small CVS error in terms of absolute value and spread. Based on these findings we were able to conclude that especially tight polarising functions are key for describing core-excitations. Along our study we suggest appropriate modifications for the popular 6-311++G** basis to reduce its CVS error. The full abstract of our paper reads

For the calculation of core-excited states probed through X-ray absorption spectroscopy, the core-valence separation (CVS) scheme has become a vital tool. This approach allows to target such states with high specificity, albeit introducing an error. We report the implementation of a post-processing step for CVS excitations obtained within the algebraic-diagrammatic construction scheme for the polarisation propagator (ADC), which removes this error. Based on this we provide a detailed analysis of the CVS scheme, identifying its accuracy to be dominated by an error balance between two neglected couplings, one between core and valence single excitations and one between single and double core excitations. The selection of the basis set is shown to be vital for a proper description of both couplings, with tight polarising functions being necessary for a good balance of errors. The CVS error is confirmed to be stable across multiple systems, with an element-specific spread of only about ±0.02 eV. A systematic lowering of the CVS error by 0.02-0.03 eV is noted when considering excitations to extremely diffuse states, emulating ionisation.

In distri, packages (e.g. emacs) are hermetic. By hermetic, I mean that the dependencies a package uses (e.g. libusb) don’t change, even when newer versions are installed.

For example, if package libusb-amd64-1.0.22-7 is available at build time, the package will always use that same version, even after the newer libusb-amd64-1.0.23-8 will be installed into the package store.

Another way of saying the same thing is: packages in distri are always co-installable.

This makes the package store more robust: additions to it will not break the system. On a technical level, the package store is implemented as a directory containing distri SquashFS images and metadata files, into which packages are installed in an atomic way.

Out of scope: plugins are not hermetic by design

One exception where hermeticity is not desired are plugin mechanisms: optionally loading out-of-tree code at runtime obviously is not hermetic.

As an example, consider glibc’s Name Service Switch (NSS) mechanism. Page 29.4.1 Adding another Service to NSS describes how glibc searches $prefix/lib for shared libraries at runtime.

Debian ships about a dozen NSS libraries for a variety of purposes, and enterprise setups might add their own into the mix.

systemd (as of v245) accounts for 4 NSS libraries, e.g. nss-systemd for user/group name resolution for users allocated through systemd’s DynamicUser= option.

Having packages be as hermetic as possible remains a worthwhile goal despite any exceptions: I will gladly use a 99% hermetic system over a 0% hermetic system any day.

Side note: Xorg’s driver model (which can be characterized as a plugin mechanism) does not fall under this category because of its tight API/ABI coupling! For this case, where drivers are only guaranteed to work with precisely the Xorg version for which they were compiled, distri uses per-package exchange directories.

Implementation of hermetic packages in distri

On a technical level, the requirement is: all paths used by the program must always result in the same contents. This is implemented in distri via the read-only package store mounted at /ro, e.g. files underneath /ro/emacs-amd64-26.3-15 never change.

To change all paths used by a program, in practice, three strategies cover most paths:

ELF interpreter and dynamic libraries

Programs on Linux use the ELF file format, which contains two kinds of references:

First, the ELF interpreter (PT_INTERP segment), which is used to start the program. For dynamically linked programs on 64-bit systems, this is typically ld.so(8).

Many distributions use system-global paths such as /lib64/ld-linux-x86-64.so.2, but distri compiles programs with -Wl,--dynamic-linker=/ro/glibc-amd64-2.31-4/out/lib/ld-linux-x86-64.so.2 so that the full path ends up in the binary.

The ELF interpreter is shown by file(1), but you can also use readelf -a $BINARY | grep 'program interpreter' to display it.

And secondly, the rpath, a run-time search path for dynamic libraries. Instead of storing full references to all dynamic libraries, we set the rpath so that ld.so(8) will find the correct dynamic libraries.

Originally, we used to just set a long rpath, containing one entry for each dynamic library dependency. However, we have since switched to using a single lib subdirectory per package as its rpath, and placing symlinks with full path references into that lib directory, e.g. using -Wl,-rpath=/ro/grep-amd64-3.4-4/lib. This is better for performance, as ld.so uses a per-directory cache.

Note that program load times are significantly influenced by how quickly you can locate the dynamic libraries. distri uses a FUSE file system to load programs from, so getting proper -ENOENT caching into place drastically sped up program load times.

Instead of compiling software with the -Wl,--dynamic-linker and -Wl,-rpath flags, one can also modify these fields after the fact using patchelf(1). For closed-source programs, this is the only possibility.

The rpath can be inspected by using e.g. readelf -a $BINARY | grep RPATH.

Environment variable setup wrapper programs

Many programs are influenced by environment variables: to start another program, said program is often found by checking each directory in the PATH environment variable.

Such search paths are prevalent in scripting languages, too, to find modules. Python has PYTHONPATH, Perl has PERL5LIB, and so on.

To set up these search path environment variables at run time, distri employs an indirection. Instead of e.g. teensy-loader-cli, you run a small wrapper program that calls precisely one execve system call with the desired environment variables.

Initially, I used shell scripts as wrapper programs because they are easily inspectable. This turned out to be too slow, so I switched to compiled programs. I’m linking them statically for fast startup, and I’m linking them against musl libc for significantly smaller file sizes than glibc (per-executable overhead adds up quickly in a distribution!).

Note that the wrapper programs prepend to the PATH environment variable, they don’t replace it in its entirely. This is important so that users have a way to extend the PATH (and other variables) if they so choose. This doesn’t hurt hermeticity because it is only relevant for programs that were not present at build time, i.e. plugin mechanisms which, by design, cannot be hermetic.

Shebang interpreter patching

The Shebang of scripts contains a path, too, and hence needs to be changed.

We don’t do this in distri yet (the number of packaged scripts is small), but we should.

Performance requirements

The performance improvements in the previous sections are not just good to have, but practically required when many processes are involved: without them, you’ll encounter second-long delays in magit which spawns many git processes under the covers, or in dracut, which spawns one cp(1) process per file.

Downside: rebuild of packages required to pick up changes

Linux distributions such as Debian consider it an advantage to roll out security fixes to the entire system by updating a single shared library package (e.g. openssl).

The flip side of that coin is that changes to a single critical package can break the entire system.

With hermetic packages, all reverse dependencies must be rebuilt when a library’s changes should be picked up by the whole system. E.g., when openssl changes, curl must be rebuilt to pick up the new version of openssl.

This approach trades off using more bandwidth and more disk space (temporarily) against reducing the blast radius of any individual package update.

Downside: long env variables are cumbersome to deal with

This can be partially mitigated by removing empty directories at build time, which will result in shorter variables.

In general, there is no getting around this. One little trick is to use tr : '\n', e.g.:

distri0# echo $PATH
/usr/bin:/bin:/usr/sbin:/sbin:/ro/openssh-amd64-8.2p1-11/out/bin

distri0# echo $PATH | tr : '\n'
/usr/bin
/bin
/usr/sbin
/sbin
/ro/openssh-amd64-8.2p1-11/out/bin

Edge cases

The implementation outlined above works well in hundreds of packages, and only a small handful exhibited problems of any kind. Here are some issues I encountered:

Issue: accidental ABI breakage in plugin mechanisms

NSS libraries built against glibc 2.28 and newer cannot be loaded by glibc 2.27. In all likelihood, such changes do not happen too often, but it does illustrate that glibc’s published interface spec is not sufficient for forwards and backwards compatibility.

In distri, we could likely use a per-package exchange directory for glibc’s NSS mechanism to prevent the above problem from happening in the future.

Issue: wrapper bypass when a program re-executes itself

Some programs try to arrange for themselves to be re-executed outside of their current process tree. For example, consider building a program with the meson build system:

1. When meson first configures the build, it generates ninja files (think Makefiles) which contain command lines that run the meson --internal helper.

2. Once meson returns, ninja is called as a separate process, so it will not have the environment which the meson wrapper sets up. ninja then runs the previously persisted meson command line. Since the command line uses the full path to meson (not to its wrapper), it bypasses the wrapper.

Luckily, not many programs try to arrange for other process trees to run them. Here is a table summarizing how affected programs might try to arrange for re-execution, whether the technique results in a wrapper bypass, and what we do about it in distri:

One might think that setting argv[0] to the wrapper location seems like a way to side-step this problem. We tried doing this in distri, but had to revert and go the other way.

Misc smaller issues

• Login shells are started by convention with a - character prepended to argv[0], so shells like bash or zsh cannot use wrapper programs.
• LDFLAGS leaked to pkgconfig (upstream reports)
• mozjs tries to run autoconf with the shell directly, but should use autoconf’s wrapper

Appendix: Could other distributions adopt hermetic packages?

At a very high level, adopting hermetic packages will require two steps:

1. Using fully qualified paths whose contents don’t change (e.g. /ro/emacs-amd64-26.3-15) generally requires rebuilding programs, e.g. with --prefix set.

2. Once you use fully qualified paths you need to make the packages able to exchange data. distri solves this with exchange directories, implemented in the /ro file system which is backed by a FUSE daemon.

The first step is pretty simple, whereas the second step is where I expect controversy around any suggested mechanism.

Appendix: demo (in distri)

This appendix contains commands and their outputs, run on upcoming distri version supersilverhaze, but verified to work on older versions, too.

Large outputs have been collapsed and can be expanded by clicking on the output.

The /bin directory contains symlinks for the union of all package’s bin subdirectories:

/ro/teensy-loader-cli-amd64-2.1+g20180927-7/bin/teensy_loader_cli

The wrapper program in the bin subdirectory is small:

-rwxr-xr-x 1 root root 46K Apr 21 21:56 /ro/teensy-loader-cli-amd64-2.1+g20180927-7/bin/teensy_loader_cli

Wrapper programs execute quickly:

     1  execve("/bin/teensy_loader_cli", ["/bin/teensy_loader_cli"], ["USER=root", "LOGNAME=root", "HOME=/root", "PATH=/ro/bash-amd64-5.0-4/bin:/r"..., "SHELL=/bin/zsh", "TERM=screen.xterm-256color", "XDG_SESSION_ID=c1", "XDG_RUNTIME_DIR=/run/user/0", "DBUS_SESSION_BUS_ADDRESS=unix:pa"..., "XDG_SESSION_TYPE=tty", "XDG_SESSION_CLASS=user", "SSH_CLIENT=10.0.2.2 42556 22", "SSH_CONNECTION=10.0.2.2 42556 10"..., "SSHTTY=/dev/pts/0", "SHLVL=1", "PWD=/root", "OLDPWD=/root", "=/usr/bin/strace", "LD_LIBRARY_PATH=/ro/bash-amd64-5"..., "PERL5LIB=/ro/bash-amd64-5.0-4/ou"..., "PYTHONPATH=/ro/bash-amd64-5.b0-4/"...]) = 0
     2  arch_prctl(ARCH_SET_FS, 0x40c878)       = 0
     3  set_tid_address(0x40ca9c)               = 715
     4  brk(NULL)                               = 0x15b9000
     5  brk(0x15ba000)                          = 0x15ba000
     6  brk(0x15bb000)                          = 0x15bb000
     7  brk(0x15bd000)                          = 0x15bd000
     8  brk(0x15bf000)                          = 0x15bf000
     9  brk(0x15c1000)                          = 0x15c1000
    10  execve("/ro/teensy-loader-cli-amd64-2.1+g20180927-7/out/bin/teensy_loader_cli", ["/ro/teensy-loader-cli-amd64-2.1+"...], ["USER=root", "LOGNAME=root", "HOME=/root", "PATH=/ro/bash-amd64-5.0-4/bin:/r"..., "SHELL=/bin/zsh", "TERM=screen.xterm-256color", "XDG_SESSION_ID=c1", "XDG_RUNTIME_DIR=/run/user/0", "DBUS_SESSION_BUS_ADDRESS=unix:pa"..., "XDG_SESSION_TYPE=tty", "XDG_SESSION_CLASS=user", "SSH_CLIENT=10.0.2.2 42556 22", "SSH_CONNECTION=10.0.2.2 42556 10"..., "SSHTTY=/dev/pts/0", "SHLVL=1", "PWD=/root", "OLDPWD=/root", "=/usr/bin/strace", "LD_LIBRARY_PATH=/ro/bash-amd64-5"..., "PERL5LIB=/ro/bash-amd64-5.0-4/ou"..., "PYTHONPATH=/ro/bash-amd64-5.0-4/"...]) = 0

Confirm which ELF interpreter is set for a binary using readelf(1):

[Requesting program interpreter: /ro/glibc-amd64-2.31-4/out/lib/ld-linux-x86-64.so.2]

Confirm the rpath is set to the package’s lib subdirectory using readelf(1):

 0x000000000000000f (RPATH)              Library rpath: [/ro/teensy-loader-cli-amd64-2.1+g20180927-7/lib]

…and verify the lib subdirectory has the expected symlinks and target versions:

libc.so.6 -> /ro/glibc-amd64-2.31-4/out/lib/libc-2.31.so

libpthread.so.0 -> /ro/glibc-amd64-2.31-4/out/lib/libpthread-2.31.so
librt.so.1 -> /ro/glibc-amd64-2.31-4/out/lib/librt-2.31.so
libudev.so.1 -> /ro/libudev-amd64-245-11/out/lib/libudev.so.1.6.17
libusb-0.1.so.4 -> /ro/libusb-compat-amd64-0.1.5-7/out/lib/libusb-0.1.so.4.4.4
libusb-1.0.so.0 -> /ro/libusb-amd64-1.0.23-8/out/lib/libusb-1.0.so.0.2.0

To verify the correct libraries are actually loaded, you can set the LD_DEBUG environment variable for ld.so(8):

[…]
       678:     find library=libc.so.6 [0]; searching
       678:      search path=/ro/teensy-loader-cli-amd64-2.1+g20180927-7/lib            (RPATH from file /ro/teensy-loader-cli-amd64-2.1+g20180927-7/out/bin/teensy_loader_cli)
       678:       trying file=/ro/teensy-loader-cli-amd64-2.1+g20180927-7/lib/libc.so.6
       678:
[…]

NSS libraries that distri ships:

libnss_myhostname.so.2 -> ../systemd-amd64-245-11/out/lib/libnss_myhostname.so.2

libnss_mymachines.so.2 -> ../systemd-amd64-245-11/out/lib/libnss_mymachines.so.2
libnss_resolve.so.2 -> ../systemd-amd64-245-11/out/lib/libnss_resolve.so.2
libnss_systemd.so.2 -> ../systemd-amd64-245-11/out/lib/libnss_systemd.so.2
libnss_compat.so.2 -> ../glibc-amd64-2.31-4/out/lib/libnss_compat.so.2
libnss_db.so.2 -> ../glibc-amd64-2.31-4/out/lib/libnss_db.so.2
libnss_dns.so.2 -> ../glibc-amd64-2.31-4/out/lib/libnss_dns.so.2
libnss_files.so.2 -> ../glibc-amd64-2.31-4/out/lib/libnss_files.so.2
libnss_hesiod.so.2 -> ../glibc-amd64-2.31-4/out/lib/libnss_hesiod.so.2

After about a year of work on the density-functional toolkit (DFTK) we finally started using the code for some new science. Given the mathematics background of the CERMICS the first two DFTK-related articles were not so much about large-scale applications, but rather deal some fundamental questions of Kohn-Sham density-functional theory (DFT). The first submission provides a detailed analysis of self-consistent iterations and direct-minimisation approaches for solving equations such as DFT. My main focus in the past weeks, however, was rather the second project, an invited submission for the Faraday discussions New horizons in density functional theory, which are to take place in September this year.

In this article we deal with numerical error in DFT calculations. More precisely we want to address the question: What is the remaining error in the result obtained by a particular DFT simulation, which has already been performed?

This is naturally a rather broad statement, which cannot realistically be addressed in the scope of a single article. As we detail we only address the question of bounding the error of a particular quantity of interest, namely band energies near the Fermi level. Other quantities, such as the forces or the response to an external perturbation, might benefit from our ideas, but will need extensions on top. Also one needs to keep in mind that there are plenty of sources for error in a DFT calculation, including:

1. The model error due to replacing the (almost) exact model of the many-body Schrödinger equation by a reduced, but more feasible model like DFT.
2. The discretisation error due to employing only finitely many basis functions instead of solving analytically in an infinite-dimensional Hilbert space.
3. The algorithmic error resulting from using non-zero convergence tolerances in the eigensolvers as well as the SCF procedure.
4. The arithmetic error obtained by doing computation only in finite-precision floating-point arithmetic.

Of course in practice people often have a good ballpark idea of the error of DFT as a method or the errors obtained from a particular basis cutoff. Rightfully one might ask, why one should go through the effort of deriving provable bounds to the error in a DFT result? While there are surely many takes on this question, I only want to highlight two aspects in this summary:

• Educated guesses for convergence parameters taken from experience can fail. Typically they fail exactly when interesting things happen in a system and thus the usual heuristic breaks down. In other words converging a simulation to investigate what's going on becomes difficult when it's most needed. Detailed error analysis splitting up the error during an SCF iteration into contributions like the errors 1 to 4 (or even finer) can help to hint at the parameters worth tweaking or can provide insight into which error term behaves unusual in an SCF.
• Thinking such aspects one step further, a good bound to the individual terms even allows to equilibrate sources of error during a running calculation. The outlook of this idea would be a fully black-box scheme for DFT calculations where typical convergence parameters are automatically while the calculation progresses in order to yield the cheapest path to a desired target accuracy.

With respect to the errors 1 to 4 mentioned above one would of course like to be able to provide an upper bound to each of them. Unfortunately especially obtaining an estimate for the model error is a rather difficult task. In our work we have therefore concentrated on the errors 2 to 4 and moreover we only focused on Kohn-Sham models without self-consistency, i.e. where none of the terms in the Hamiltonian depend on the density / orbitals. It goes without saying that especially this last restriction needs to be lifted to make our results useful in practice. This angle we have left for future work.

Already at the stage of the current reduced model, however, there are a few aspects to consider when finding an upper bound:

• We wanted our bound to be fully-guaranteed, which means that we wanted to design a bound where we are able to prove that the exact answer must lie inside the bounds we give. This means when we provide error bars for band energies it is mathematically guaranteed to find the exact answer of the full-dimensional (complete-basis set limit) calculation at infinite accuracy and at zero convergence tolerances inside our bound.
• To be useful our bound should be (cheaply) computable, because otherwise plainly checking the calculation at vastly increased precision might end up being the better option. Notice that our bound does require to use a finer discretisation for some terms, but this is only a one-shot a posteriori step and not an iterative one.
• Ideally the bound should be sharp meaning that the upper bound to the error we report should not be too far off the true error. Even better would be an optimal bound, where we are as close to the true error as possible (given proposed structure in the error estimate). Such considerations are very important to not end up with completely correct but also useless statements like: "The error in the band energy is smaller than 10 million Hartree".

Finding a balance between these three aspects is not always easy and in our work we often take the pragmatic route to obtain a simpler, albeit less sharp error. Still, our bound is fully computable and allowed us, for the first time, to report band structure diagrams of silicon annotated with fully-guaranteed error bars of combined discretisation, algorithm and arithmetic errors. Details of our methodologies are given in the paper. Its full abstract reads

We address the problem of bounding rigorously the errors in the numerical solution of the Kohn-Sham equations due to (i) the finiteness of the basis set, (ii) the convergence thresholds in iterative procedures, (iii) the propagation of rounding errors in floating-point arithmetic. In this contribution, we compute fully-guaranteed bounds on the solution of the non-self-consistent equations in the pseudopotential approximation in a plane-wave basis set. We demonstrate our methodology by providing band structure diagrams of silicon annotated with error bars indicating the combined error.

I did a seminar talk on JTAG and how to use it to check a PCB for errors. For this i designed a little board in order to simulate manufacturing errors. In this post I want to give you a short introduction to JTAG and how to use it.

What is Boundary-scan

Boundary-scan was developed to simplify testing of integrated circuits. To do this the Joint Test Action Group introduced the Boundary Scan architecture as a standard and today it has replaced the old testing methods because of its cost efficiency and speed up of test development and execution.

So how does this work?

I will be just covering the basics here. If you want a more detailed introduction, you can read the articles referenced at the end of this post.

Boundary-scan is a technology which places cells at the circuits boundary that can sample the circuit inputs and also drive its outputs. This can be done while the circuit is operating and it is controlled via the JTAG interface. With these cells in place we wan test the internal logic of the circuit as well as the interconnects between the devices on a board.

In the picture above you can see an overview of the boundary-scan architecture. This picture only shows one JTAG device, but on more complex PCB there are many such devices that are connected in a JTAG chain. This means that the data out of one chip is connected to the input of the next.

In order for us use this architecture, we need to connect to the four JTAG pins:

• TDI Test Data In
• TDO Test Data Out
• TCK Test Clock
• TMS Test Mode Select

Once connected we can control all of the devices in the JTAG chain. In general we can perform two different types of actions. We can either write/read data or we can write instructions. Testing a circuit involves both of theses actions. By writing instructions we can set the connected circuits into different modes. And by writing data we can set the pins to the desired levels as well as read the results.

There are three different instructions we are interested in when testing interconnects:

• SAMPLE/PRELOAD
• EXTEST
• BYPASS

With the SAMPLE/PRELOAD instruction the boundary-scan cells will sample the inputs of the circuit, and when shifting in data we can read values received at the pins. We can also use this command to load data into the boundary-scan cells. The EXTEST instruction will set the output of the pins to the values provided in the boundary-scan cells and the BYPASS instruction lets us skip devices in the chain that are not of interest to the test currently performed.

With these instructions we can set pins of a device to a logic level and test at the receiving circuit if the correct logic level was received.

The Hardware

We need to connect to the JTAG pins of a devices. If they are exposed there probably is a connector on the board. If not it may be possible to solder wires directly to the pins. In any case we will need a JTAG adapter in order to connect them to a normal computer via USB. I am using a JLink adapter which features a 20 pin JTAG connector.

The PCB I am using for testing is a small circuit I designed myself, it also has a 20 pin connector which exposes the JTAG pins. Here is the layout:

It features two MAX V Altera CPLDs that implement the boundary-scan architecture and are connected in a JTAG chain. To test some connections between them I connected eight of their pins at the top and added a dip switch to simulate shorts between the wires as well as pull ups and pull downs.

Tooling

Okay so we got a PCB and connected it to a computer with a JTAG adapter now what? How do get the tests running?

Well this is where it gets hard, because there is no nice open source software that does it all for us. We need to write the test ourselves and for that we need to know the details of the interconnects on our PCB and the details of how the boundary-scan architecture is implemented in the devices in our JTAG chain.

BSDL Files

The Boundary-scan standard does not tell manufacturers what bit codes to use to encode the instructions, but it does require them to publish the so called BSDL (Boundary Scan Description Language) files free of charge for their devices. These files use a dialect derived from VHDL a hardware description language and describe all information needed to use a devices boundary-scan architecture. For example:

• Instruction register description
• Boundary-scan cell description
• Pin mappings
• and more

Basically all information we might want to know about a specific device is in that file.

SVF Files

Most JTAG adapter tool chains support a file format called SVF (Serial Vector Format). These are plain text files that describe what data or instructions to write to the JTAG connection. It has no knowledge about the JTAG chain of devices or any of there properties. We can just specify what data/instructions to shift in and what results we expect to be shifted out.

Designing a simple test

Okay so putting it all together. Lets say we want to test two neighboring interconnects for a bridging fault.

On my example PCB two neighboring interconnects are connected as follows:

1. CHIP 1 IO56 - CHIP 2 IO49
2. CHIP 1 IO55 - CHIP 2 IO50

So if we set IO56 of the first chip to a logic 1 and IO55 to logic 0, we would expect to receive a logic 1 on IO49 and a logic 0 at IO50 on the second chip. If we receive a logic 1 at IO50 that means that there is a bridging fault between the interconnects.

To write a test for this we need to write an SVF file that we can run with the JTAG adapter tool chain. It needs to complete the following steps:

1. Set first chip into SAMPLE/PRELOAD mode. (Shift in Instructions)
2. Load Test pattern into first chip (Shift in Data)
3. Set first chip to EXTEST and second chip to SAMPLE/PRELOAD mode (Shift in Instructions)
4. Shift in dummy data to receive the data sampled from chip 2 and compare against the expected result (Shift in Data)

The following SVF files does exactly this:

TRST OFF;
ENDIR IDLE;
ENDDR IDLE;
STATE RESET;
STATE IDLE;
FREQUENCY 10000000 HZ;
SIR 20 TDI (01405);
SDR 480 TDI (000000000000000000000000000000000000000000800000000000000
	000000000000000000000000000000000000000000000000000000000000000);
SIR 20 TDI (03c05);
SDR 480 TDI (0) TDO (000000000000000000000000000000000000000000000000
	00000000000000000000000000000000000000000000000100000000000000000
	0000000) MASK (00000000000000000000000000000000000000000000000000
	00000000000000000000000000000000000000000000012000000000000000000
	00000);

Up until the first line starting with SIR all we are doing is making sure the boundary-scan circuit is in a known state and setting the speed at which we want to operate.

SIR means we want to write instruction data. We need to specify the length and since we have to chips with both 10 bit instruction registers we are writing 20 bits of data. The data we want to write is specified behind the TDI statement as a hex string surrounded by parenthesis.

SDR works the same as SIR but instead of instruction data we are just writing data. In this case we are writing 480 bits, since both chips have a boundary-scan register length of 240 bits. If we want to compare the shifted out data against the expected data we have to write the expected result as a hex string behind the TDO statement and we can even mask the result so that we only look at the bits we are interested in.

How do we know what data to write and what data to expect? Well for that we have to look at the BSDL files of the devices in our JTAG chain and figure out which pin is mapped to which bit in the data. Of course writing a SVF by hand is very tedious, so instead I created some python scripts to help me with the task. Feel free to use them for your own projects.

Conclusion

Using Boundary-scan for PCB testing is very nice when trying to automatically test PCBs. Sadly there is little to no open source software which makes it easy to design tests for your own layouts. Which means that you still have to do a lot of information gathering if you want to use this technology. But once the tests are implemented testing a PCB becomes a very easy and fast.

I hope this blog post gave you an idea of what you need to do, to get up and running with boundary-scan testing. If you have any feedback feel free to contact me.

Further Reading Material

• Texas Instruments Testabilty Primer
• Paper on Interconnect Testing

It is time to revisit of the simple wifi setup as much has changed since. This time, however, we will not only cover wifi, but also wired connections as well as DNS.

Wired networking

This wired setup is based on systemd-networkd, which typically comes with systemd. If you use a systemd-based Linux, you should be ready to go right away. It further assumes that acquiring an IP address via DHCP once a cable is plugged in the typical usecase.¹

Create the file /etc/systemd/network/cable.network²:

[Match]
Name=<name of the wired network device> <second one if applicable> [<more ...>]

[Network]
DHCP=yes
IPv6PrivacyExtensions=true

[DHCP]
Anonymize=true

Then systemctl enable --now systemd-networkd and plug in a cable, wired networking with DHCP is up and running.

Wireless networking

The wireless setup is based on iwd, the currently vastly superior tool for wireless networking on Linux compared to existing alternatives such as wpa_supplicant (the effectively only other contender in this game) and software using it such as NetworkManager and netctl. It requires iwd as well as Linux >= 4.20 for full operation.

Create the file /etc/iwd/main.conf:

[General]
# uncomment for setting the wifi interface name yourself
# see https://iwd.wiki.kernel.org/interface_lifecycle
#UseDefaultInterface=true

# enable builtin DHCP-client within iwd for wifi
EnableNetworkConfiguration=true

# randomizes mac-address every time iwd starts or the hardware is initially detected
AddressRandomization=once

Then systemctl enable --now iwd, wireless networking with DHCP is up and running, blazingly fast and stable.

You might want to take a look at the previous post to deal with race conditions that might be introduced due to iwd being significantly faster than other wifi-solutions on Linux.

Frontends

iwd stores its known networks in /var/lib/iwd. To add, modify or delete them, several options are available:

iwctl

You can now connect to simple PSK wifi networks in the iwctl shell:

[iwctl] station <devicename> get-networks
…
[iwctl] station <devicename> connect <network-name>

iwctl will ask you for the password, iwd will memorize it for later connections and autoconnect the next time the network appears. Currently, iwctl only supports creating simple password-only network connections, for more complex network setups, instead of iwctl asking you all the nifty details of an enterprise connection, use the file-based config instead. For everything else, just type help within iwctl.

file-based config

If you have more complex wifi-setups, you can simply drop a network configuration file in /var/lib/iwd. The files must be named as networkname.protocol. You can find the protocol listed in the output of get-networks in the iwctl-shell. To fill the file, take a look to the network configuration settings in the iwd documentation or the iwd.network manpage.

For example, to use the University Heidelberg’s eduroam network, create the file /var/lib/iwd/eduroam.8021x containing

[Security]
EAP-Method=TTLS
EAP-Identity=<anonymous-identity>
EAP-TTLS-CACert=/etc/ssl/certs/T-TeleSec_GlobalRoot_Class_2.pem
EAP-TTLS-Phase2-Method=MSCHAPV2
EAP-TTLS-Phase2-Identity=<uni-id>@uni-heidelberg.de
EAP-TTLS-Phase2-Password=<your University account password>

For other institutions, the details in the method might vary, of course. See man iwd.network for details. It also includes several examples for almost all possible configurations.

Network Manager

You can also use Network Manager for a more graphical experience, you just have to enable the iwd-backend for NetworkManager to use it. In addition to that, double check if you have the right NetworkManager version for your iwd version, just as a precaution.

DNS

For modern domain name resolution, you can use systemd-resolved, which provides statistics, automated caching of DNS requests, DNSSEC validation and much more. To use it, ensure systemd-resolved is installed³ and systemctl enable --now systemd-resolved. Ensure that /etc/resolv.conf is symlinked to /run/systemd/resolve/stub-resolv.conf, if not

ln -sf /run/systemd/resolve/stub-resolv.conf /etc/resolv.conf

takes care of it. Afterwards, you can change the default fallback DNS servers and other things in /etc/systemd/resolved.conf, if desired and otherwise enjoy resolvectl and resolvectl statistics.

Miscellaneous optimizations

Binding iwd to the wifi-device

To disable iwd when the wifi is not present (and iwd therefore not needed) create the file /etc/udev/rules.d/wifi.rules containing

# bind iwd to wifi
SUBSYSTEM=="rfkill", ENV{RFKILL_NAME}=="phy0", ENV{RFKILL_TYPE}=="wlan", ACTION=="change", ENV{RFKILL_STATE}=="1", RUN+="/usr/bin/systemctl --no-block start iwd.service"
SUBSYSTEM=="rfkill", ENV{RFKILL_NAME}=="phy0", ENV{RFKILL_TYPE}=="wlan", ACTION=="change", ENV{RFKILL_STATE}=="0", RUN+="/usr/bin/systemctl --no-block stop iwd.service"

If AddressRamdomization=once is set in the configuration, this udev rule has the nice side-effect that, as iwd starts nanew when the wifi is un-rfkilled, the MAC address of the interface is randomized again.

Persistent device naming

If you want to have persistent device names, for example for devices showing up in a status bar or something similar, this ist easiest achieved by creating a link-file⁴ /etc/systemd/network. To persistently name the wireless device wifi, create /etc/systemd/network/00-wifi.link containing

[Match]
MACAddress=ab:cd:ef:12:34:56  # wifi's original MAC address

[Link]
Name=wifi  # can be used for matching in the according *.network-file

If you do this for any device operated by iwd, ensure you have UseDefaultInterface=true set in section [General] in /etc/iwd/main.conf.

Setting specific MAC addresses for specific wifi networks and randomizing on every connect

In case you need to set a specific address for a specific wireless network, iwd>=1.6 allows using AddressOverride= inside a network configuration file. For this to take effect, however, AddressRandomization=once must be dropped from /etc/iwd/main.conf. This makes iwd generate persistent MAC addresses per network (generated from its SSID and real hardware address) by default and allows AddressOverride to take effect. Additionally, a network file can contain AlwaysRandomizeAddress=true, which randomizes the MAC address on each connect for this network (also only takes effect when AddressRandomization is not set or set do its default value in main.conf. However, due to kernel limitations, each change of a MAC address requires powercyling the card. This leads to (for iwd standards) singificantly prolonged connection times (by ≈300-400ms). Given that, as long as you do not require AddressOverride, AddressRandomization=once gives you fast connection times while still randomizing your card’s MAC address regularly enough.

_{Thanks to rixx for proofreading and helpful suggestions.}

This blog has had an RSS-feed from the very start. But from today on, this blog also officially has feeds on Mastodon and Twitter you can subscribe to if you do not like RSS or prefer these over RSS.

Let’s see where this goes, I’m curious if that’s something people will find useful. Retoots or -tweets encouraged!

ACHTUNG: Aufgrund der aktuellen Lage und Vorgaben der Stadt Mannheim (siehe auch) bleibt das RaumZeitLabor bis auf weiteres geschlossen. Alle öffentlichen Veranstaltungen sind abgesagt.

Passt auf euch auf.

When we are storing data, we typically assume that our storage system of choice returns that data later just as we put it in. However what guarantees do we have that this is actually the case? The case made here is the case of bitrot, the silent degradation of the physical charges that physically make up today’s storage devices.

To counter this type of problem, one can employ data checksumming, as it is done by both btrfs and ZFS. However, while in the long run btrfs might be the tool of choice for this, it is fairly complex and not yet too mature, whereas ZFS, the most prominent candidate for this type of features, is not without hassle and it must be recompiled for every kernel update (although automation exists).

In this blogpost, we’ll therefore take a look into a storage design that actually checks whether the returned data is actually valid and not silently corrupted inside our storage system and is completely designed with components available in Linux itself without the need to recompile and test your storage layer on every kernel upgrade. We find that this storage design, while fulfilling the same purpose as ZFS, does not only yield comparable performance, but actually in some cases even able to significantly outperform it, as the benchmarks at the end indicate.

The setup

The system we will test in the following will be constructed from four components (including the filesystem):

• dm-integrity provides blocklevel checksumming for all incoming data and will check said checksum for all data read through it (and return a read error if it doesn’t match).
• mdraid provides redundancy if a disk misbehaves, avoiding data loss. If the dm-integrity-layer detects invalid data from the disk, mdraid will see a read-error and can immediately correct this error by reading it from somewhere else in the redundancy pool.
• dm-crypt on top of the RAID, right below the filesystem will encrypt the data¹
• ext4 as a filesystem to actually store files on it

The order matters, dm-integrity must be placed between the harddisks and the mdraid, to ensure that data corruption errors can be corrected by mdraid after they have been detected by dm-integrity. Similarly, dm-crypt has nothing to do with redundancy, therefore it should be placed on top of of mdraid, to only having to be passed once, and not multiple times as it would be the case for placing it alongside dm-integrity.²

This yields the following storage design:

Storage system architecture

This script will assemble the above depicted system and mount it to /mnt.

Resulting performance

Now that we have an assembled system, we’d like to quantify the performance impact of the different layers. The test setup for this is a Kobol Helios4 (primarily because it’s the intended target platform for this storage system) with four disks³ running Debian 10 “Buster”. The Helios4 is powered by an energy efficient dual-core ARM SoC optimized for storage systems. The setup was not built based on the entire disks, but on partitions of a size of 10GiB each, allowing multiple parallel designs and therefore easing the benchmarking procedure, as well as speeding up the experiments⁴.

Layer analysis of performance impact

Throughput

To benchmark throughput, the following commands were used:

# write:
echo 3 > /proc/sys/vm/drop_cache  # drop all caches
dd if=/dev/zero of=/path/to/testfile bs=1M count=8000 conv=fdatasync

# read
echo 3 > /proc/sys/vm/drop_cache  # drop all caches
dd if=/path/to/testfile of=/dev/zero conv=fdatasync

This procedure was repeated ten times for proper statistics for the different cases for both read (r) and write (w):

• ext4 filesystem only (f, one disk only)
• encryption, topped by ext4 (cf, one disk only)
• mdraid (RAID6/double parity), topped by the former (rcf, 4 disks)
• the final setup, including integrity (ircf, 4 disks)

We see different interesting results in the data: First of all, the encryption engine on the helios4 is not completely impact free, although the resulting performance is still more than sufficient for the designated uses for a Helios4.

Secondly, we see that adding integrity layer does have a noticable impact on writing, but a negligible impact on reading, indicating that especially for systems primarily intended to read data from adding the integrity layer is a matter of negligible cost.

For write-heavy systems, the performance impact is more considerable, but for certain workloads, such as the home-NAS-case the Helios is designed for, the performance can still be considered fully sufficient, especially as normally the system would cache those writes to a certain extend, which was explicitly disabled for benchmarking purposes (see conv=fdatasync in the benchmark procedure).

The reason for the degradation in write (but not in read) is likely due to the fact that the integrity layer and the mdraid layer are decoupled from one another, the raid-layer is not aware that for a double parity setup it effectively has to write the same information three times, and the integrity layer has to account for all three writes before the data is considered synced as required by conv=fdatasync.

Latency

We have found that the throguhput of such a storage design is yielding useful throughput-rates. The next question is about the latency of the system, which we will, for simplicity, only estimate for random 4K-reads. Again, just as above, we will investigate the impact of the different layers of the system. To do so, we read 100.000 sectors randomly from an 18GB sized testfile filling the storage mountpoint for each configuration after dropping all caches.

Latency comparison of system layers

The figure above yields several interesting insights: First of all, we do see cache hits close to zero milliseconds, furthermore, we see that the latency distribution is fairly evenly distributed over the available range and finally and most interestingly, we see that the impact of the several layers onto the latency is measurable, but rather irrellevant for typical practical purposes.

Performance comparison with ZFS

So far we have tested the setup on its intended target platform, the Helios4. To compare the resulting system against the elephant in the room, ZFS, we will use a different test platform, based on an Intel i7-2600K as CPU and 4x1TB disks, as the zfs-dkms was not reliably buildable on Debian Buster on ARM, and when it actually built, it explicitly stated that 32bit-processors (as the Helios’ CPU) are not supported by upstream, although technically the system would run.

To allow for a cleaner comparison, the testbed was accordinly changed to accomodate for ZFS’s preferences. As ZFS did not adhere to conv=fdatasync⁵, the main memory was restricted to 1GB, swap was turned off and the size of the testfile was chosen to be 18GB. This way, any caching happening would be at least significantly reduced as there was little space next to the OS inside of the main memory for caching.

All tests were run on a Debian 10 “Buster” with Linux 4.19, ZFS was used in form of the package zfs-dkms in version 0.8.2 from backports. The storage layer for both setups was layouted with double parity (RAID6/raidz2) and, as the zfs-dkms package in Debian was not able to do encryption, the mdraid-based setup was also setup without the encryption layer.

Throughput

The commands used for benchmarking throughput were conceptually the same as above:

# write:
echo 3 > /proc/sys/vm/drop_cache  # drop all caches
dd if=/dev/zero of=/path/to/testfile bs=1M count=18000 conv=fdatasync

# read
echo 3 > /proc/sys/vm/drop_cache  # drop all caches
dd if=/path/to/testfile of=/dev/zero conv=fdatasync

Although ZFS seemingly does not adhere to any cache dropping or syncing instructions, they were still performed and adhered to by the mdraid-based setup.

Throughput comparison, zfs & md

The results are very interesting: While the md-based setup performs less consistent in and of itself, it still consistently outperforms ZFS in read performance. When it comes to write, though, ZFS performs noticably better.⁶

To investigate the cause of this unexpected balance, we note that while ZFS combines raid, integrity and filesystem in one component, for the md-based setup these are separate components. Of these components, not only the filesystem, but also the dm-integrity implements journalling to avoid inconsistencies in case of a power outage. This leads to increased work until the transaction has been fully flushed to disk, which can be seen in the next figure, where the md-based system (without the encryption layer) is tested with both journalling enabled and disabled in the integrity layer:

Throughput effect of integrity journaling

We find that write-performance increases significantly (and taking into account the factor of increase it actually surpasses the write performance of ZFS). We can therefore conclude that the Linux components are very capable of matching ZFS performance-wise, at least for low memory environements, and especially outperform ZFS in read-performance. In a purely throughput-optimized configuration (such as when an uninterruptible power supply is installed, so that the guarantees of journalling are not necessarily crucial) it even outperforms a standard ZFS-configuration in both read and write⁷. Before you disable integrity-journalling in production, however, take into account the implications⁸.

Disabling journalling on the filesystem layer of the md-based setup did not have any measurable impact onto the throughput performance of the setup.

Latency

Analoguous to the latency measurements on the Helios4 we can measure the latency profile for both the md-based storage as well as ZFS, reading 1 million random 4K-samples from an 18GB sized testfile.

Latency comparison, zfs & md

Besides the expected cache hits close to zero millisecond-mark we find some very interesting results with regards to latency: While the md-based system is very consistent with its latency profile, both with the distribution as well as the average and median being almost identical, ZFS exhibits a slightly lower median latency, but contrasts that with an up to five-fold larger latency tail, which lifts the average latency noticably above that of the md-based setup, indicating that ZFS seems far less predictable with regard to read-latcency.

Remark on RAID checks

One thing to note is that checks and resyncs of the proposed setup are significantly prolonged (by a factor of 3 to 4) compared to an mdraid without the integrity-layer underneath. The investigation so far has so far not revealed the underlying cause. It is not CPU-bound, indicating that the read-performance is not held back by checksumming, the latency figures above do not imply an increase in latency significant enough to cause a factor 3-4 prolonged check-time, disabling the journal did not change this either (as one would expect, as the journal is unrelated to read, which should be the only relevant mode for a raid-check).

ZFS was roughly on par with mdraid without the integrity-layer underneath with regard to raid-check time.

If anyone has an idea of the root cause of this behavior, feel encouraged to contact me, I’d be intrigued to know.

Conclusion

First of all, the conclusion when pondering if ZFS is required for guaranteeing data integrity in a storage layer can clearly be answered with a no. Not only does the combination of mdraid and dm-integrity yield more than sufficient data rates for a typical home-storage-setup, the data also indicates that at least in low-memory environements this kind of setup can actually outperform ZFS for read-heavy operations, both in throughput as well as being at least comparable if not more reliable with regard to latency. Especially for long-term-storage solutions primarily intended for just having tons of storage space, such as home-NAS-systems, this is typically the more relevant mode of operation as long as the write-performance is sufficient (which the data confirms).

Therefore data integrity on the storage layer is very possible without going through the hassle of having to build ZFS additionally with each kernel upgrade and preserving the option for easy restore with any modern linux, even if ZFS is not available, should the primary storage system fail.

The prolonged check- and resync-times still lack a reasonable explanation, which is unsatisfying. However, from a purely practical point of view, rebuilds and resyncs are typically a rather rare occurance, therefore the prolongation of check- and resync-time is a comparatively small (and rarely paid) price for the guarantee of data integrity.

Additional thoughts and outlook

In addition to the conclusions we can draw from the data we gathered, the md-based setup has another advantage ZFS does not (yet) provide: for ZFS all disks for the storage pool must be available upfront at first assembly⁹ (or the redundancy will not be “any 2 disks may fail and the storage pool is still operational” for a system ultimately intended to have double parity) whereas this is not the case with mdraid, which can extend or grow a pool¹⁰, resyncing it to, for all (changing) configurations, at any point in time (except disk failure and rebuild) fulfill “any two disks may fail” (for an intended double parity/RAID6-setup with over time increasing disk count).

Of course, ZFS is not only blocklevel checksumming. ZFS provides additional tooling for different purposes which might make its use still worthwhile. If one was to extend the md-raid-based system by some of these features, it might be of interest to use XFS as the filesystem on top, as with a sufficiently recent Kernel XFS also supports features like filesystem-snapshots and many more. Alternatively, one could introduce an LVM-layer into the system (or, if desired, even replace md with LVM).

As usual, feedback is always appreciated.

_{Thanks to Hauro for proofreading and helpful comments.}

Liebe RaumZeitSaunierende,

am 1. März 2020 wollen wir zuSamen den “Kalevalan päivä” und somit den Tag der finnischen Kultur (28. Februar) bei einem Spätstück nachfeiern. Zieht euer Eläkeläiset-Fanshirt aus dem Schrank und kommt um 11.30 Uhr auf eurem Nokia 3310 ins RZL vibriert. Lasst euch dieses finntastische Ereignis nicht entgehen! Damit wir wissen, wie viel Munavoi wir anrühren müssen, bitten wir um Anmeldung per Mail bis zum 25. Februar 2020. Wir freuen uns über einen Beitrag von 8 Euro für unser Finnkasso-Unternehmen.

Hyvää ruokahalua!
Eure Muumirattie

When spawning a child program, for example in an integration test, it is often helpful to know when the child program is ready to receive requests.

Delaying

A brittle strategy is to just add a delay (say, time.Sleep(2 * time.Second)) and hope the child program finishes initialization in that time. This is brittle because it depends on timing, so when the computer running the test is slow for whichever reason, your test starts failing. Many CI/CD systems have less capacity (and/or are more heavily utilized) than developer machines, so timeouts frequently need to be adjusted.

Also, relying on timing is a race to the bottom: your delay needs to work on the slowest machine that runs your code. Ergo, tests waste valuable developer time on your high-end workstation, just so that they pass on some under-powered machine.

Polling

A slightly better strategy is polling, i.e. repeatedly checking whether the child program is ready. As an example, in the dnsmasq_exporter test, I need to poll to find out when dnsmasq(8) is ready.

This approach is better because it automatically works well on both high-end and under-powered machines, without wasting time on either.

Finding a good frequency with which to poll is a bit of an art, though: the more often you poll, the less time you waste, but also the more resources you spend on polling instead of letting your program initialize. The overhead may be barely noticeable, but when starting lots of programs (e.g. in a microservice architecture) or when individual polls are costly, the overhead can add up.

Readiness notifications

The most elegant approach is to use readiness notifications: you don’t waste any time or resources.

It only takes a few lines of code to integrate this approach into your application. The specifics might vary depending on your environment, e.g. whether an environment variable is preferable to a command-line flag; my goal with this article is to explain the approach in general, and you can take care of the details.

The key idea is: the child program inherits a pipe file descriptor from the parent and closes it once ready. The parent program knows the child program is ready because an otherwise blocking read from the pipe returns once the pipe is closed.

This is similar to using a chan struct{} in Go and closing it. It doesn’t have to remain this simple, though: you can also send arbitrary data over the pipe, ranging from a simple string being sent in one direction and culminating in speaking a framed protocol in a client/server fashion. In Debian Code Search, I’m writing the chosen network address before closing the pipe, so that the parent program knows where to connect to.

Parent Program

So, how do we go about readiness notifications in Go? We create a new pipe and specify the write end in the ExtraFiles field of (os/exec).Cmd:

r, w, err := os.Pipe()
if err != nil {
  return err
}

child := exec.Command("child")
child.Stderr = os.Stderr
child.ExtraFiles = []*os.File{w}

It is good practice to explicitly specify the file descriptor number that we passed via some sort of signaling, so that the child program does not need to be modified when we add new file descriptors in the parent, and also because this behavior is usually opt-in.

In this case, we’ll do that via an environment variable and start the child program:

// Go dup2()’s ExtraFiles to file descriptor 3 and counting.
// File descriptors 0, 1, 2 are stdin, stdout and stderr.
child.Env = append(os.Environ(), "CHILD_READY_FD=3")

// Note child.Start(), not child.Run():
if err := child.Start(); err != nil {
  return fmt.Errorf("%v: %v", child.Args, err)
}

At this point, both the parent and the child process have a file descriptor referencing the write end of the pipe. Since the pipe will only be closed once all processes have closed the write end, we need to close the write end in the parent program:

// Close the write end of the pipe in the parent:
w.Close()

Now, we can blockingly read from the pipe, and know that once the read call returns, the child program is ready to receive requests:

// Avoid hanging forever in case the child program never becomes ready;
// this is easier to diagnose than an unspecified CI/CD test timeout.
// This timeout should be much much longer than initialization takes.
r.SetReadDeadline(time.Now().Add(1 * time.Minute))
if _, err := ioutil.ReadAll(r); err != nil {
  return fmt.Errorf("awaiting readiness: %v", err)
}

// …send requests…

// …tear down child program…

Child Program

In the child program, we need to recognize that the parent program requests a readiness notification, and ensure our signaling doesn’t leak to child programs of the child program:

var readyFile *os.File

func init() {
  if fd, err := strconv.Atoi(os.Getenv("CHILD_READY_FD")); err == nil {
    readyFile = os.NewFile(uintptr(fd), "readyfd")
    os.Unsetenv("CHILD_READY_FD")
  }
}

func main() {
  // …initialize…

  if readyFile != nil {
    readyFile.Close() // signal readiness
    readyFile = nil   // just to be prudent
  }
}

Conclusion

Depending on what you’re communicating from the child to the parent, and how your system is architected, it might be a good idea to use systemd socket activation (socket activation in Go). It works similarly in concept, but passes a listening socket and readiness is determined by the child process answering requests. We introduced this technique in the i3 testsuite and reduced the total wallclock time from >100 seconds to a mere 16 seconds back then (even faster today).

The technique described in this blog post is a bit more generic than systemd’s socket activation. In general, passing file descriptors between processes is a powerful idea. For example, in debiman, we’re passing individual pipe file descriptors to a persistent mandocd(8) process to quickly convert lots of man pages without encurring process creation overhead.

Earlier this month the first annual meeting of the French working group NBODY (GDR NBODY) took place in Lille. Since the GDR NBODY is an association of interdisciplinary scientists working on N-body problems in chemistry an physics, the about 80 participants came from a broad background ranging from quantum chemistry, materials science, mathematics or nuclear physics. The overall atmosphere of the conference was extremely relaxed, such that during the talks vivid discussions frequently arose. I particularly enjoyed the presentations about N-body effects in nuclear physics and the first-principle simulations of the structure of nuclei, since that topic was completely new to me. Fortunately there was one introductory talk for each of the four mayor topics of the working group bringing everyone up to speed in each others' subject.

As part of the program I presented about DFTK and our recent advances with the code. I first gave a brief rationalisation why we started DFTK as a new code for working on electronic-structure problems from the mathematical perspective, then I briefly presented two applications, where we hope our code could be useful towards developing new approaches for practical calculations. One is an investigation of increased precision and more generally estimates for the floating-point error in density-functional theory calculations. The other was a discussion of our ongoing work on SCF preconditioning techniques. In this I showed our first steps towards developing a mathematically justified SCF preconditioner suitable for tackling systems containing both a conducting and an insulating part. Our first results indicate that our approach could be more suitable than established methods, which usually rely on interpolating empirically between the established preconditioning strategies for metals and insulators. Our hope would be that our preconditioner could allow to apply DFTK in the context of simulating the electronic structure of catalytic metal surfaces in the future. In this application a challenge for SCF schemes is that employed catalysts are usually coated with an insulating oxide layer or are interfacing with more insulating organic compounds or air.

Link	Licence
Using the density-functional toolkit (DFTK) to investigate floating-point error and SCF convergence (Slides)

In case you are not yet familiar with why an initramfs (or initrd, or initial ramdisk) is typically used when starting Linux, let me quote the wikipedia definition:

“[…] initrd is a scheme for loading a temporary root file system into memory, which may be used as part of the Linux startup process […] to make preparations before the real root file system can be mounted.”

Many Linux distributions do not compile all file system drivers into the kernel, but instead load them on-demand from an initramfs, which saves memory.

Another common scenario, in which an initramfs is required, is full-disk encryption: the disk must be unlocked from userspace, but since userspace is encrypted, an initramfs is used.

Motivation

Thus far, building a distri disk image was quite slow:

This is on an AMD Ryzen 3900X 12-core processor (2019):

distri % time make cryptimage serial=1
80.29s user 13.56s system 186% cpu 50.419 total # 19s image, 31s initrd

Of these 50 seconds, dracut’s initramfs generation accounts for 31 seconds (62%)!

Initramfs generation time drops to 8.7 seconds once dracut no longer needs to use the single-threaded gzip(1) , but the multi-threaded replacement pigz(1) :

This brings the total time to build a distri disk image down to:

distri % time make cryptimage serial=1
76.85s user 13.23s system 327% cpu 27.509 total # 19s image, 8.7s initrd

Clearly, when you use dracut on any modern computer, you should make pigz available. dracut should fail to compile unless one explicitly opts into the known-slower gzip. For more thoughts on optional dependencies, see “Optional dependencies don’t work”.

But why does it take 8.7 seconds still? Can we go faster?

The answer is Yes! I recently built a distri-specific initramfs I’m calling minitrd. I wrote both big parts from scratch:

1. the initramfs generator program (distri initrd)
2. a custom Go userland (cmd/minitrd), running as /init in the initramfs.

minitrd generates the initramfs image in ≈400ms, bringing the total time down to:

distri % time make cryptimage serial=1
50.09s user 8.80s system 314% cpu 18.739 total # 18s image, 400ms initrd

(The remaining time is spent in preparing the file system, then installing and configuring the distri system, i.e. preparing a disk image you can run on real hardware.)

How can minitrd be 20 times faster than dracut?

dracut is mainly written in shell, with a C helper program. It drives the generation process by spawning lots of external dependencies (e.g. ldd or the dracut-install helper program). I assume that the combination of using an interpreted language (shell) that spawns lots of processes and precludes a concurrent architecture is to blame for the poor performance.

minitrd is written in Go, with speed as a goal. It leverages concurrency and uses no external dependencies; everything happens within a single process (but with enough threads to saturate modern hardware).

Measuring early boot time using qemu, I measured the dracut-generated initramfs taking 588ms to display the full disk encryption passphrase prompt, whereas minitrd took only 195ms.

The rest of this article dives deeper into how minitrd works.

What does an initramfs do?

Ultimately, the job of an initramfs is to make the root file system available and continue booting the system from there. Depending on the system setup, this involves the following 5 steps:

1. Load kernel modules to access the block devices with the root file system

Depending on the system, the block devices with the root file system might already be present when the initramfs runs, or some kernel modules might need to be loaded first. On my Dell XPS 9360 laptop, the NVMe system disk is already present when the initramfs starts, whereas in qemu, we need to load the virtio_pci module, followed by the virtio_scsi module.

How will our userland program know which kernel modules to load? Linux kernel modules declare patterns for their supported hardware as an alias, e.g.:

initrd# grep virtio_pci lib/modules/5.4.6/modules.alias
alias pci:v00001AF4d*sv*sd*bc*sc*i* virtio_pci

Devices in sysfs have a modalias file whose content can be matched against these declarations to identify the module to load:

initrd# cat /sys/devices/pci0000:00/*/modalias
pci:v00001AF4d00001005sv00001AF4sd00000004bc00scFFi00
pci:v00001AF4d00001004sv00001AF4sd00000008bc01sc00i00
[…]

Hence, for the initial round of module loading, it is sufficient to locate all modalias files within sysfs and load the responsible modules.

Loading a kernel module can result in new devices appearing. When that happens, the kernel sends a uevent, which the uevent consumer in userspace receives via a netlink socket. Typically, this consumer is udev(7) , but in our case, it’s minitrd.

For each uevent messages that comes with a MODALIAS variable, minitrd will load the relevant kernel module(s).

When loading a kernel module, its dependencies need to be loaded first. Dependency information is stored in the modules.dep file in a Makefile-like syntax:

initrd# grep virtio_pci lib/modules/5.4.6/modules.dep
kernel/drivers/virtio/virtio_pci.ko: kernel/drivers/virtio/virtio_ring.ko kernel/drivers/virtio/virtio.ko

To load a module, we can open its file and then call the Linux-specific finit_module(2) system call. Some modules are expected to return an error code, e.g. ENODEV or ENOENT when some hardware device is not actually present.

Side note: next to the textual versions, there are also binary versions of the modules.alias and modules.dep files. Presumably, those can be queried more quickly, but for simplicitly, I have not (yet?) implemented support in minitrd.

2. Console settings: font, keyboard layout

Setting a legible font is necessary for hi-dpi displays. On my Dell XPS 9360 (3200 x 1800 QHD+ display), the following works well:

initrd# setfont latarcyrheb-sun32

Setting the user’s keyboard layout is necessary for entering the LUKS full-disk encryption passphrase in their preferred keyboard layout. I use the NEO layout:

initrd# loadkeys neo

3. Block device identification

In the Linux kernel, block device enumeration order is not necessarily the same on each boot. Even if it was deterministic, device order could still be changed when users modify their computer’s device topology (e.g. connect a new disk to a formerly unused port).

Hence, it is good style to refer to disks and their partitions with stable identifiers. This also applies to boot loader configuration, and so most distributions will set a kernel parameter such as root=UUID=1fa04de7-30a9-4183-93e9-1b0061567121.

Identifying the block device or partition with the specified UUID is the initramfs’s job.

Depending on what the device contains, the UUID comes from a different place. For example, ext4 file systems have a UUID field in their file system superblock, whereas LUKS volumes have a UUID in their LUKS header.

Canonically, probing a device to extract the UUID is done by libblkid from the util-linux package, but the logic can easily be re-implemented in other languages and changes rarely. minitrd comes with its own implementation to avoid cgo or running the blkid(8) program.

4. LUKS full-disk encryption unlocking (only on encrypted systems)

Unlocking a LUKS-encrypted volume is done in userspace. The kernel handles the crypto, but reading the metadata, obtaining the passphrase (or e.g. key material from a file) and setting up the device mapper table entries are done in user space.

initrd# modprobe algif_skcipher
initrd# cryptsetup luksOpen /dev/sda4 cryptroot1

After the user entered their passphrase, the root file system can be mounted:

initrd# mount /dev/dm-0 /mnt

5. Continuing the boot process (switch_root)

Now that everything is set up, we need to pass execution to the init program on the root file system with a careful sequence of chdir(2) , mount(2) , chroot(2) , chdir(2) and execve(2) system calls that is explained in this busybox switch_root comment.

initrd# mount -t devtmpfs dev /mnt/dev
initrd# exec switch_root -c /dev/console /mnt /init

To conserve RAM, the files in the temporary file system to which the initramfs archive is extracted are typically deleted.

How is an initramfs generated?

An initramfs “image” (more accurately: archive) is a compressed cpio archive. Typically, gzip compression is used, but the kernel supports a bunch of different algorithms and distributions such as Ubuntu are switching to lz4.

Generators typically prepare a temporary directory and feed it to the cpio(1) program. In minitrd, we read the files into memory and generate the cpio archive using the go-cpio package. We use the pgzip package for parallel gzip compression.

The following files need to go into the cpio archive:

minitrd Go userland

The minitrd binary is copied into the cpio archive as /init and will be run by the kernel after extracting the archive.

Like the rest of distri, minitrd is built statically without cgo, which means it can be copied as-is into the cpio archive.

Linux kernel modules

Aside from the modules.alias and modules.dep metadata files, the kernel modules themselves reside in e.g. /lib/modules/5.4.6/kernel and need to be copied into the cpio archive.

Copying all modules results in a ≈80 MiB archive, so it is common to only copy modules that are relevant to the initramfs’s features. This reduces archive size to ≈24 MiB.

The filtering relies on hard-coded patterns and module names. For example, disk encryption related modules are all kernel modules underneath kernel/crypto, plus kernel/drivers/md/dm-crypt.ko.

When generating a host-only initramfs (works on precisely the computer that generated it), some initramfs generators look at the currently loaded modules and just copy those.

Console Fonts and Keymaps

The kbd package’s setfont(8) and loadkeys(1) programs load console fonts and keymaps from /usr/share/consolefonts and /usr/share/keymaps, respectively.

Hence, these directories need to be copied into the cpio archive. Depending on whether the initramfs should be generic (work on many computers) or host-only (works on precisely the computer/settings that generated it), the entire directories are copied, or only the required font/keymap.

cryptsetup, setfont, loadkeys

These programs are (currently) required because minitrd does not implement their functionality.

As they are dynamically linked, not only the programs themselves need to be copied, but also the ELF dynamic linking loader (path stored in the .interp ELF section) and any ELF library dependencies.

For example, cryptsetup in distri declares the ELF interpreter /ro/glibc-amd64-2.27-3/out/lib/ld-linux-x86-64.so.2 and declares dependencies on shared libraries libcryptsetup.so.12, libblkid.so.1 and others. Luckily, in distri, packages contain a lib subdirectory containing symbolic links to the resolved shared library paths (hermetic packaging), so it is sufficient to mirror the lib directory into the cpio archive, recursing into shared library dependencies of shared libraries.

cryptsetup also requires the GCC runtime library libgcc_s.so.1 to be present at runtime, and will abort with an error message about not being able to call pthread_cancel(3) if it is unavailable.

time zone data

To print log messages in the correct time zone, we copy /etc/localtime from the host into the cpio archive.

minitrd outside of distri?

I currently have no desire to make minitrd available outside of distri. While the technical challenges (such as extending the generator to not rely on distri’s hermetic packages) are surmountable, I don’t want to support people’s initramfs remotely.

Also, I think that people’s efforts should in general be spent on rallying behind dracut and making it work faster, thereby benefiting all Linux distributions that use dracut (increasingly more). With minitrd, I have demonstrated that significant speed-ups are achievable.

Conclusion

It was interesting to dive into how an initramfs really works. I had been working with the concept for many years, from small tasks such as “debug why the encrypted root file system is not unlocked” to more complicated tasks such as “set up a root file system on DRBD for a high-availability setup”. But even with that sort of experience, I didn’t know all the details, until I was forced to implement every little thing.

As I suspected going into this exercise, dracut is much slower than it needs to be. Re-implementing its generation stage in a modern language instead of shell helps a lot.

Of course, my minitrd does a bit less than dracut, but not drastically so. The overall architecture is the same.

I hope my effort helps with two things:

1. As a teaching implementation: instead of wading through the various components that make up a modern initramfs (udev, systemd, various shell scripts, …), people can learn about how an initramfs works in a single place.

2. I hope the significant time difference motivates people to improve dracut.

Appendix: qemu development environment

Before writing any Go code, I did some manual prototyping. Learning how other people prototype is often immensely useful to me, so I’m sharing my notes here.

First, I copied all kernel modules and a statically built busybox binary:

% mkdir -p lib/modules/5.4.6
% cp -Lr /ro/lib/modules/5.4.6/* lib/modules/5.4.6/
% cp ~/busybox-1.22.0-amd64/busybox sh

To generate an initramfs from the current directory, I used:

% find . | cpio -o -H newc | pigz > /tmp/initrd

In distri’s Makefile, I append these flags to the QEMU invocation:

-kernel /tmp/kernel \
-initrd /tmp/initrd \
-append "root=/dev/mapper/cryptroot1 rdinit=/sh ro console=ttyS0,115200 rd.luks=1 rd.luks.uuid=63051f8a-54b9-4996-b94f-3cf105af2900 rd.luks.name=63051f8a-54b9-4996-b94f-3cf105af2900=cryptroot1 rd.vconsole.keymap=neo rd.vconsole.font=latarcyrheb-sun32 init=/init systemd.setenv=PATH=/bin rw vga=836"

The vga= mode parameter is required for loading font latarcyrheb-sun32.

Once in the busybox shell, I manually prepared the required mount points and kernel modules:

ln -s sh mount
ln -s sh lsmod
mkdir /proc /sys /run /mnt
mount -t proc proc /proc
mount -t sysfs sys /sys
mount -t devtmpfs dev /dev
modprobe virtio_pci
modprobe virtio_scsi

As a next step, I copied cryptsetup and dependencies into the initramfs directory:

% for f in /ro/cryptsetup-amd64-2.0.4-6/lib/*; do full=$(readlink -f $f); rel=$(echo $full | sed 's,^/,,g'); mkdir -p $(dirname $rel); install $full $rel; done
% ln -s ld-2.27.so ro/glibc-amd64-2.27-3/out/lib/ld-linux-x86-64.so.2
% cp /ro/glibc-amd64-2.27-3/out/lib/ld-2.27.so ro/glibc-amd64-2.27-3/out/lib/ld-2.27.so
% cp -r /ro/cryptsetup-amd64-2.0.4-6/lib ro/cryptsetup-amd64-2.0.4-6/
% mkdir -p ro/gcc-libs-amd64-8.2.0-3/out/lib64/
% cp /ro/gcc-libs-amd64-8.2.0-3/out/lib64/libgcc_s.so.1 ro/gcc-libs-amd64-8.2.0-3/out/lib64/libgcc_s.so.1
% ln -s /ro/gcc-libs-amd64-8.2.0-3/out/lib64/libgcc_s.so.1 ro/cryptsetup-amd64-2.0.4-6/lib
% cp -r /ro/lvm2-amd64-2.03.00-6/lib ro/lvm2-amd64-2.03.00-6/

In busybox, I used the following commands to unlock the root file system:

modprobe algif_skcipher
./cryptsetup luksOpen /dev/sda4 cryptroot1
mount /dev/dm-0 /mnt

“Another One Bites the Crust” – Queen

Dear fellow RaumZeitLaboroyals!

Anlässlich des möglicherweise (oder auch doch noch nicht) bevorstehenden EU-Austritts des Vereinigten Königreichs, wollen wir uns am Freitag, den 31. Januar zum gemeinsamen BrexEat im RZL treffen.

Steckt eure schönste Tudor-Rosenkohl-Brosche ans Jäckchen und sattelt die Corgis, denn ab 18.30 Uhr stoßen wir auf das/die Wo/ahl unserer britischen Nachbarn an.

Chicken und Vegetable Tikka Masala mit Reis, sowie Indian Treacle Tart – für Veggie- und Beefeater wird es gleichermaßen Britisch-Indische Klassiker zum Dinieren geben.

Falls ihr zum Union Snack kommen wollt, meldet euch bitte bis zum 29.01. per Mail an und schreibt uns, ob ihr Fleisch esst oder nicht. Damit es auch in Zukunft noch “Keep calm and culinary on” heißt und wir weiter lustige Motto-Essfeste machen können, bitten wir um einen Unkostenbeitrag von mindestens 8 Euro pro Person.

Drool, Britannia!
Eure Chai Spice Girls

Werte Tageslichtablehnende und Stahlbetonfans,

die nächste Tour ist ein Highlight für uns Kellerkinder!

Am Samstag, den 8. Februar 2020, werden wir uns den Atomschutzbunker unter dem Stadthaus in N1 anschauen. Falls ihr etwas über die Geschichte des Tiefbunkers erfahren möchtet, oder wissen wollt, welche Auswirkungen der Kalte Krieg auf Mannheim hatte, solltet ihr diesen Ausflug in den Untergrund nicht verpassen. Für RaumZeitLaborierende sind 10 Plätze bei MannheimTours für die Führung ab 15.30 Uhr reserviert. Bitte meldet euch bis zum 1. Februar 2020 per Mail an, wenn ihr dabei sein wollt.

Let’s have a blast
Falloutrattie

Zwar liegen hier seit Monaten mehrere fertige Artikel technischer Natur auf der Platte, nur kann ich davon noch nichts veröffentlichen, daher zu Abwechslung mal etwas aus dem Unterhaltungssektor.

Vor einigen Tagen habe ich mir X4: Foundations gekauft, da der Einstieg im ersten Szenario etwas anstrengend ist stelle ich nun als Backup meiner Notizen die - subjektiv betrachtet - wichtigsten in den Blog. Wahrscheinlich ist es wie mit den Vorgängern, in ein paar Wochen ist die Luft mit einem millionenschweren Selbstläuferunternehmen raus und Ende des Jahres wird dann von Grund auf neu angefangen. Nur muss ich mit diesem Post nach der nächsten längeren Pause nicht ewig in meinen Notizbüchern/Dateien suchen.

Hinweis: Alle Informationen meinerseits beziehen sich auf Version 2.60 HOTFIX 2 (GOG) und können mit vorherigen oder folgenden Versionen völlig nutzlos sein.

• Der wichtigste Hinweis zu Beginn des Spiels: Über die Taste H erreicht man die Hilfstutorials die man zu Beginn braucht und die man auch spielen sollte. In den Patch Notes für die kommende Version 3.00 an wird an mehreren Stellen eine Verbesserung der Einführung und der Tutorials aufgeführt.
• Zu Beginn sind Missionen der Argonen wichtig um schnell ein Ansehen von 10 zu erreichen und günstiger effektive Mining Schiffe kaufen zu können.
• Einstieg ins Mining: Es lohnt sich kleine Schürfer der Klasse M zum sammeln von Methan Gas zu nutzen und diese über die Gebiete der verschiedenen großen Fraktionen zu verteilen. Dadurch steigt langsam mit jeder dieser Fraktionen das Ansehen und eine Marktsättigung tritt nicht zu schnell ein. Manche Schiffe können auch nur im selben Sektor Ressourcen abbauen und verkaufen, andere Nachbarsektoren mitversorgen und im Bestfall global operieren, wegen des ersten Falles wäre ein Schiff der Klasse L zu Beginn gefährlich, da es schnell zu einer Marktsättigung führt. Warum man mal auch zu Beginn des Spiels einen absoluten Experten, dann aber etliche Male einen Neueinsteiger bekommt scheint ein generell offenes Fragezeichen zu sein.
• Fortgeschrittenes Mining: Wenn Schiffe später in der Lage sind in multiplen Sektoren Bergbau und Handel zu betreiben lohnen sich Schiffe der Kategorie L zum sammeln von Nvidium und Silizium. Erz bringt nur wenig Gewinn, dafür ist die Menge der möglichen Abnehmer größer. Damit eine Fraktion eine stabile Flottenstärke hat kann man dies mit Erz unterstützen, ansonsten lohnt es sich nur für eigene Stationen im späteren Spiel.
• Wer zu Beginn fix ein paar Millionen möchte für den kann ich den Beitrag Die ersten Millionen empfehlen. Eine kurze Anleitung wie man im Xenon Sektor Fehlerhafte Logik VII (zu erreichen durch die Verbindung von Gesegnete Vision zu Fehlerhafte Logik I und dort einem Highway im Süden), im "westlichen" Teil, ein größeres Schlachtschiff findet und es kapert. (Achtung: Es kann auch links "außerhalb" der initialen Karte liegen). Ich rate jedoch davon ab, das Schiff umgehend zu verkaufen. Es ist besser es zur Schiffswerft in Argon Prime zu schicken, dort die Marine Einheit wieder an Bord zu nehmen und die Ausstattung(Antrieb/Software) und die Verbrauchsgüter zuerst zu verkaufen. Der Wert solcher Dinge, wurde zumindest bei mir nicht bei jedem Schiff dem Verkaufspreis angerechnet, bei diesem Schiff geht einem dann doch ein siebenstelliger Betrag durch die Finger. Damit das Schiff das Ziel erreicht am Besten speichern und nicht auf die Karte schauen, so nutzt man die Spielmechanik aus, dass unbeachtete Schiffe sich nicht "normal" Verhalten sondern ungebremst durch Sprungtore/Verbindugen rasen.

Sektoren für das Mining

• In Profitabler Handel (TEL kontrolliert) gibt es viele Xenon und Kha'ak Angriffe, allerdings hatte ich hier mit einem Mangel an Abnehmern für Methan und Silizium noch keine Probleme.
• Dreieinigkeit VII ist ein PAR kontrollierter Sektor in dem ein Klasse M Mineralienschürfer in Ruhe mit Silizium für eine Verbesserung der Beziehung zur Fraktion arbeiten kann.
• Gesegnete Vision ist ein HOP kontrollierter Sektor, welcher mit Fehlerhafte Logik verbunden und stark umkämpft ist. Hier lohnt es sich sowohl mit Mineralien als auch Methan zu arbeiten.
• Zweiter Kontakt II Unruheherd ist mit mehreren Fraktionen versorgt, ein kleiner Händler mit Energiezellen ist hier recht zu Beginn zwecks Gewinn von Ansehen praktisch.
• Ianamus Zura IV ist der Teladi Hauptsektor direkt in dem eigentlich durchgehend mit Xenon gekämpft wird. Es lohnt sich hier ein billiges Schiff in die Handelsstation zu stellen, schlicht um mit der später zur Verfügung stehenden Teleportation die Fraktionsvertretetung unkompliziert zu erreichen.

Nach den ersten zehn Millionen: Konstruktionsaufträge

Wenn man mindestens zehn Millionen Credits auf dem Konto hat kommt man mit Bauaufträgen schnell voran.

• Es lohnt sich sehr die Hauptquest mit dem freundlichen Boronen Boso Ta früh abzuschließen, die Belohnungen führen hier zu einer gewissen Kostenreduktion bzgl. Pläne für künftige Stationen und generell entspannterem Vorgehen im Spiel.
• Regelmäßig auf dem Superhighway zwei Runden drehen und jeden Auftrag annehmen auch wenn man die Teile noch nicht alle bauen kann. Anschließen nach Möglichkeit direkt die notwendigen Bauplätze in der Nähe von Toren kaufen, schlicht damit dort später nicht eine andere Station den Platz blockiert. Achtung: Man mag die Karte von oben sehen und glauben, das richtige Gebiet eingegrenzt zu haben, aber das Spiel spielt in einem dreidimensionalen Raum insofern die Y-Achse nicht vergessen und die Karte drehen.
• Bei den Ressourcen nicht sparen und das globale Limit für den Einkaufspreis bei 100% lassen und lieber 10k Credits nehr hinterlegen als vorgeschlagen wird. Bei mir sind schon mehrere Male Bauaufträge hängen geblieben weil für die letzte Energiezelle ein Credit gefehlt hat (95% Limit und passgenau Credits hinterlegt). Bemerkt man dies nicht darf man dann wieder 50k für das Mieten des Bauschiffs zahlen.
• Der Abschluss der Konstruktionen dauert natürlich seine Zeit, aber wenn man 5,5 Millionen Gewinn machen kann ohne viel aktiven Aufwand ist es eine wertvolle Angelegenheit. Die Höhe der Belohnungen nimmt auch zu, ich habe gerade mehrere Aufträge für Verteidigungsstationen, die mich je 2 Millionen Credits gekostet haben, für die ich jedoch mehr als 15 Millionen ausgezahlt bekommen werde.
• Meiner Meinung nach lohnt sich ein eigenes Konstruktionsschiff zu Beginn nicht. Verteilt man über die Sektoren hinweg an jeder kritischen speziellen Station Satelliten findet man immer eines, welches man für 50K Credits anheuern kann. Mehrere Millionen für ein eigenes auszugeben, das auch nur an einer Stelle gleichzeitig arbeiten kann ist vielleicht im späten Spiel sinnvoll, wenn regelmäßig eine Station erweitert werden muss.
• Vorsicht: Wenn die Stationen fertig sind sie Eigentum des Auftraggebers, eine Station zur Produktion von Waren muss man also nicht mit umfangreichen Verteidigungsmaßnahmen versorgen, sofern dies nicht gewünscht ist.
• Eigene Stationen: Eine kleine Werft in umkämpften Gebieten anzubieten lohnt sich, vor allem wenn man mit den sich bekämpfenden Fraktionen befreundet ist. *hüstel* Es dauert zwar eine Weile bis man die Credits wieder hat, aber solange sich mindestens zwei Streiten kommt kontinuierlich Geld, meist aber auch zusätzlich von unbeteiligten Fraktionen. Hierzu muss man neben den Blaupausen der Schiffe auch die der Ausrüstungsteile besitzen, je größer die Auswahl, desto mehr wird ausgegeben. Da die Einkäufe, Reparaturen und Bauaufträge komplett von der KI Situation abhängen lässt sich hier natürlich keine regelmäßiger Gewinn-/Umsatz berechnen.
• Bei einer Werft sollte man zur Gewinnmaximierung auch zeitnah nach und nach die Ressourcen selbst bereitstellen können und die Module an der selben Station oder in deren Nähe anbringen. Ohne diese Eigenproduktion geht doch viel Geld verloren. Man kann natürlich den Spieß auch umdrehen und mit den Modulen zur Ressourcenverarbeitung anfangen.

At this year's 36th Chaos Communication Congress in Leipzig, I signed up to give a short introductory workshop for Julia. To my surprise the room was completely packed yesterday, even though the meeting was scheduled for 11am on day 4 ... Everyone at the session was extremely engaged and packaged with plenty of supporting and challenging questions about Julia. Luckily a bunch of masters from the Julia community were in the audience to help out with providing the in-depth details where I failed (tip of the hat to Keno Fischer and Valentin Churavy). Thanks for everyone in the room! I really enjoyed my time and as usual with these things I learned a lot.

As I mentioned during the session, the Jupyter notebooks I used are all available on github. They were originally made for a one-day introductory Julia course, which I presented in Paris a few weeks ago (details here). The material, however, should be self-explanatory and accessible to people completely new to Julia, but which already have some familiarity with programming of some kind. Main point is to get an idea of what Julia is like, seed a little curiosity about the language and provide links to plenty of further info (see also these links). Feel free to spread the word about the repo if you like the material.

With that said, I am happy to receive any feedback you might have about the session, the notebooks and the other material. I plan to keep doing such courses in the future and I'm always looking for ways how to improve ;).

Link	Licence
https://github.com/mfherbst/course_julia_day

Lately I have been doing programming for embedded systems such as the esp32 and esp8266, and additionally I did a course on embedded systems for my masters degree. This introduced me to the wonderful world of programming close to the hardware level, and inspired me to write this post about hardware peripherals.

What are Hardware Peripherals?

Hardware Peripherals are specialized pieces of silicon that are built into a processor. They are used to perform a diverse set of task. This includes controlling the processors clock speed, power management and communication with other devices. They are responsible for configuring the device operation and during operation are used to perform tasks in parallel with the main cores.

So what can these peripherals do?

Anyone who has ever looked into the data sheet of a microprocessor will know that these data sheets are long. The data sheet for the ARM cortex m7 CPU for example is about 2000 pages long. Which is to say that there are a lot of peripherals that can do a variety of things, for example:

• Analog Digital Converters (ADC) used for measuring analog signals
• Direct Memory Access Controllers (DMA) used for copying data from sensor to memory or the other way
• GPIO Interfaces used for pin management
• I2C and SPI Interfaces used for communicating with sensor devices
• PMC the power management controller
• Other Memory interfaces such as PCI or EBI

Using Peripherals

In order for us to use a peripheral, we have to complete a few steps:

1. Setup peripheral mode

2. Start peripheral task

3. Wait for peripheral to finish

All of this is done via memory mapped registers, which is to say that within the memory range of the processor there are dedicated areas of memory that do not map to a memory controller like an SDRAM, but are mapped to registers belonging to the peripherals. The peripherals use these registers as configuration values that change how the peripheral is working or if it is running, and some of the registers are not meant to be written to but instead are used to communicate the status of the peripheral back to the CPU.

All of this is described in the data sheet of the processor you are using. Every peripheral has a section describing what it can do, and what parameters can be changed via the memory mapped registers, as well as how the peripheral can be started, stopped and how to know when it is finished.

Since all of this is highly dependent on the platform you are using, it is hard to give you a clear cut way to use any peripheral. You will always have to refer back to the data sheet and look how to use the peripheral for your platform. But in order for you to get an idea on how to do this, let us look at an example.

Example

Every example is specific to the specific device we are using. For these examples we are going to look at the simple case of toggling a GPIO pin. The chip we are using is an embedded cortex m7 cpu, from atmel. It belongs to the atsame70 family of cpu’s. Datasheet

So all we want to do is let a led blink. To do this we will have to toggle the status of a pin, and all pins are managed by the GPIO peripheral. In the data sheet of this particular chip this peripheral is just called PIO. To be able to do this we first have to tell the PIO peripheral that it should take control of the pin and then tell it to configure the pin to be used as an output. After that we can change the pin state.

If you already looked into the data sheet you might have noticed so that there are multiple PIO peripherals and how the pins are mapped depends on the rest of the system. For the system that i am programming a led is connected to pin 19 on PIO C. So this is the pin I will be using in this example.

To achive an accurate timeout between turning the led on and off, we are going to use the real time timer peripheral on our device. It is in essence a configurable counter attached to a clock signal.

Let us do this in C

This example uses the C library provided by atmel which provides the correct memory addresses of the peripherals and exposes them to us as definitions and structures. By just using these we are automatically writing to the correct addresses.

	#include "atsame70.h" 
	
	void timeout_ms(int ms) {
		// restart timer and set prescaler to count every 32 clock cycles 
		// this corresponds to a 1ms clock cycle since the clock frequency is 32 kHz 
		RTT->RTT_MR = RTT_MR_RTPRES(0x20) | RTT_MR_RTTRST; 
		
		while ( (RTT->RTT_VR | RTT_VR_CRTV_Msk) < ms) {
			//wait for counter to have counted to desired timeout
		}
	}

	void blink_led() {
		//give control of the pin to the pio -> basically the running code
		ATSAME70_BASE_PIOC->PIO_PER = PIO_PC19; 
		ATSAME70_BASE_PIOC->PIO_OER = PIO_PC19;

		while(true) {
			//turn led on 
			ATSAME70_BASE_PIOC->PIO_SODR = PIO_PC19;
			
			timeout_ms(500); 
			
			//turn led off 
			ATSAME70_BASE_PIOC->PIO_CODR = PIO_PC19; 
			
			timeout_ms(500);
		}
}

Timeouts

Since the device can vary it’s clock speed it is not desirable to implement a delay with just waiting a specified amount of clock cycles. Instead we are going to use the atsame70 Real Time Timer (RTT).

How to configure the RTT correctly can be read in the functional description in the data sheet. In short we have to configure the clock source since there are two at different speeds. Scale how many clock cycles trigger the counter and reset the peripheral for the new setting to take affect.

To do this we have to write to a memory mapped register:

In the figure we can see all the registers that are connected to the RTT. All the values we need to configure are in the RTT_MR register. It is basically just a 32 bit value. But every bit has a meaning. The first 16 bits represent the 16 bit prescaler value, and there is also a bit to enable the peripheral and one to the reset it. Selecting the clock source is also done with one bit.

So what do we need to wait for a certain amount of ms:

1. Select the 32kHz clock src by setting the RTC1HZ bit in RTT_MR to 0

2. Setting the RTPRES 16 bit value to 32 in order for the counter to increase ever 32 clock cycles which corresponds to increase the counter value evey 1ms

3. Set the RTTDIS bit to 0 to not disable the rtt

4. Trigger the RTT reset by setting RTTRST bit to 1

All of these 4 steps can be done with one write to the RTT_MR register.

Afterwards the timer is running and we can read the value in RTT_VR to see how much time has passed.

Controlling the LED

The PIO peripheral that manages the pins of the device is a lot more complex than the RTT peripheral. Which means it has many more registers. Using these we can do fancy things like giving other peripherals such as the SPI peripheral control over the pins it needs to communicate.

But we are just interested in simply controlling a pin ourselfs. For this we need 4 different registers:

1. PIO_PER peripheral enable register

2. PIO_OER peripheral output enable register

3. PIO_SODR set output data register

4. PIO_CODR clear output data register

They all have the same structure so i am just going to show you one of them:

Basically for every pin controlled by the PIO there is a bit. So one PIO gives us control over 32 pins. To control a pin we have to do the following steps:

1. set PIO_PER pin bit to 1 to enable control of the PIO over the pin

2. set PIO_OER pin bit to 1 to set the pin into output mode

Now setting the PIO_SODR pin bit to 1 to pull the pin high and setting the PIO_CODR pin bit to 1 pulls the pin low again.

How does all of this look in Rust

For rust there is no official library from atmel, but there is a project called svd2rust that allows us to auto-generate a library that we can use to address the correct peripheral registers. All we need is the svd file of the processor we are using, this is an xml file describing all the peripherals and their register values.

	use atsame70q21::{Peripherals}
	
	fn timeout_ms(peripherals : & Peripherals, u32 ms) {
		let rtt = &peripherals.RTT;
		
		// restart timer and set prescaler to count every 32 clock cycles 
		// this corresponds to a 1ms clock cycle since the clock frequency is 32 kHz 
		rtt.rtt_mr.write( |w| {
			unsafe {w.rtpres().bits(0x20);}
			w.rttdis().clearbit();
			w.rttrst().set_bit()
		});
		while rtt.rtt_vr.read().crtv().bits() < ms {
			// wait for counter to have counted to desired timeout
		}
	}

	fn blink_led() {
		let peripherals = Peripherals::take().unwrap();
		
		let pioc = &peripherals.PIOC;
		
		//give control of the pin to the pio -> basically the running code
		pioc.pio_per.write( |w| w.p19().set_bit() );
		pioc.pio_oer.write( |w| w.p19().set_bit() );
		
		loop() {
			//turn led on 
			pioc.pio_sodr.write( |w| w.p19().set_bit() );
			
			timeout_ms(&peripherals, 500); 
			
			//turn led off 
			pioc.pio_codr.write( |w| w.p19().set_bit() );
			
			timeout_ms(&peripherals, 500);
		}
	}

The logic of the rust code is exactly the same as the C example, and since all of the actual functionality we are using is provided by the hardware and not by the language specifics the code looks mostly the same.

I hope you liked this little excursion into bare metal programming, i am sure i will return with more blog post regarding similar topics while i keep experimenting more with rust on bare metal systems.

If you missed the Julia day at Jussieu in Paris last week, but still want to get to know the programming language Julia a little, have no fear: I'll be doing an introductory Julia session at the 36th Chaos Communication Congress in Leipzig this year (on day 4, 11am, so be prepared to get up early ;) ). Find all the infos here.

The plan is to do something similar to the Julia day, just a little more condensed with more focus on showing things rather than explaining things. Overall the workshop will not be so much centred on really teaching Julia, much rather to show you the potential of the language and get you all set to start exploring Julia on your own.

Update: Details here

Congress Everywhere

Auch dieses Mal laden wir alle, die nicht persönlich auf dem 36C3 sein können, wieder herzlich ein, etwas Congress-Atmosphäre bei uns im RaumZeitLabor zu geniessen.

Zusammen schauen wir uns ausgewählte Talks live auf dem Beamer an. Und Essen gibt’s auch. Aller Voraussicht nach gibt es morgens einen Frühstücks-Bausatz bestehend aus Nutella und frischem Brot, abends einen Essens-Bausatz bestehend aus Dürüm, Gemüse und Vleisch. Bembel, Bier und diverse anti-alkoholische Getränke (u.a. 3 Sorten Mate!) werden im Kühlschrank bereitgestellt.

So einfach ist es: Auf https://status.raumzeitlabor.de/ schauen ob die Ampel grün ist, ggf. 0621 76231370 anrufen um ganz sicher zu sein, und ab ins RZL!!!

This Blogpost will investigate the impact of different power management policies for SATA devices in Linux with regard to their power consumption as well as their performance impact. Because after all, everyone likes to get more battery life for free, right?

We will briefly discuss the test setup, then take a look at several measurement results for both power and performance to at the end take a look how to leverage the found results in practice.

Overall, we will find that for SSDs the power management policies for SATA devices can make a significant difference in power consumption while having a negligible impact on performance at the same time.

Background

On a modern linux machine, several modes for power management of a SATA drive are available. These are

• max_performance: A disk is typically kept awake and running to get the best performance out of it. This is most indicative when thinking about spinning disks, as a spindown leads to inevitable significant latencies for the next access of the drive
• min_power: This mode prefers power saving over maximum performance. For spinning disks this for example implies spindowns to save power
• medium_power: A compromise between the aforementioned two.
• med_power_with_dipm: This mode configures the drive like medium_power does, but with additional Device Initiated Power Management. It uses the same configuration the Intel IRST Windows driver uses to for drives.

Setup and Test Procedure

Setup

The measurement was performed on laptops and their internal SSDs. Due to availability to the author, the measurements were done with a Crucial M550 and a Crucial MX500, both 1TB in size. Measurements were taken with

• Linux 5.3
• no applications opened (except for the terminal with the benchmarking process)
• screen turned off (only really relevant for power)
• standard system daemons still running

Power consumption

The power consumption measurements were done using this code, to further reduce noise, wifi was disabled as well. After the link power management policy was set, the system was let idling for 10 minutes to reduce any influences from other policies or activities from before. Afterwards, power consumpiton was measured over 15 minutes via the /sys-API of the machine’s battery controller. It was read every three seconds.

Three scenarios were tested for all available link power management policies:

• idle: no induced activity
• synchronous: activity right before reading the current power consumption
• asynchronous: activity in the middle of two power measurements

The entire procedure was repeated for all combinations of available link power management policies and scenarios (so in total 12 times).

Performance

After setting the link power management policy and let the system idle to ensure measurements would not be influenced by past activity. Idle time was chosen to be 15 minutes (slightly longer as for power, an additional precaution as the performance measurements were significantly shorter time-wise that the power measurements). Performance was then measured using fio 3.16 with this preset adapted from here using this script. As benchmarking is hard, the performance measurements are not intended to be an absolute statement of the drive’s performance, but rather intended as a ballpark measurement to get a feel for the performance impact of different link power management policies.

Results

Power consumption

MX500

M550

Performance

The measurements for the MX500 were very consistent when repeatedly measured. The measurements for the M550 were a bit flakey, so the fio-measurement on the M550 was performed three times and the performance characteristics shown are the respective medians over all three measurements for both throughput and latency.

Throughput

Latency

Latency information was gathered as part of the fio-measurements for the different link power management policies. The results (specifically lat in fio’s output) are denoted as average +/- standard deviation in microseconds to, again, get a ballpark estimate.

Conclusion

As the results clearly indicate, the power link management policy has a noticable impact on a computer’s power consumption, up to a third of its total under light load when we exclude the screen. The newest mode med_power_with_dipm proves to be both among the lowest consuming ones for all modes for the tested SSD models and also very consistent in this, whereas other modes are either equal, systematically higher or highly dependent of the scenario at play (for example the min_power mode on the MX500).

The performance impact, both in latency and in throughput, was, however, somewhere between measurable and completely negligible, the highest impact could be seen in the throughput of the M550 where the data still implies med_power_with_dipm to be the preferred choice.

Beware that the results in this post are only applicable to SSDs. HDDs might have significantly different performance and power characteristics due to spin-down and spin-up times and other factors. Furthermore, the aforementioned results will likely apply for SSDs in general, but were obviously only tested on certain models. Different models, especially from differend vendors, could have different characteristics.

Practical usage

If you want to check which policy is in place, you can take a look at the content of the files /sys/class/scsi_host/host[0-9]/link_power_management_policy, which indicate the applied policy or simply use

cat /sys/class/scsi_host/host*/link_power_management_policy

to see the policies. After all, if you didn’t configure anything, they should all be the same, so you’ll see what’s configured no matter which disk it is. To automatically set the desired policy, you can create a file /etc/udev/rules.d/disk-power.rules containing:

SUBSYSTEM=="scsi_host", KERNEL=="host*", ATTR{link_power_management_policy}="med_power_with_dipm"

that will set med_power_with_dipm for all SATA disks that will show up. Alternatively, if you use tlp, you don’t have to do anything, because (at least in the default configuration) tlp does already take care of setting this policy, at least for the primary SATA disk.

Appendix

Liteonit LCS-256, 256GB

One additional dataset was donated from an additional SSD, specifically a Liteonit LCS-256, sized at 256GB. Below you find the power measurements for this disk, the measurement procedure is roughly equal to the one outlined for Crucial’s MX500 and M550 above. We see that, while the exact numbers vary, the power profiles behave very similar, specifically to the ones of the MX500, and our conclusions apply for this disk as well.

If someone has a disk or SSD manufacturer not covered so far, feel invited to still send data to broaden the survey started here.

A few weeks ago on 21st and 22nd November of this year Pierre-Francois Loos invited me for two days to the Laboratoire de Chimie et Physique Quantiques of the Université Paul Sabatier Toulouse. On Thursday the 21st I had the chance to present our current status in DFTK and adcc at the lab's seminar. My talk ended up being an updated version of my talk at the Domcke group in Munich, which I held just in the previous month. After the talk and on Friday I had plenty of time to discuss with Titou, Anthony Scemama and Michel Caffarel about adcc, DFTK and their respective projects. The discussions were interesting from my end and ended up being a rather fruitful exchange of ideas. During the two days I certainly learned a lot.

As usual my slides and examples are attached below:

Link	Licence
Interdisciplinary software for electronic structure theory: adcc and DFTK (Slides seminar LCPQ)
DFTK and Julia examples (Tarball)
adcc examples (Notebook)

As part of my research stay at the Matherials team of ENPC Paris Tech and Inria I have been developing the density-functional toolkit, DFTK.jl, together with Antoine Levitt and Eric Cancès. Finally after about six months of joint effort on this Julia code, we just released a first preview in the form of version 0.0.1.

As I mentioned already in previous articles and talks the aim of DFTK is to bridge between mathematicians, computer scientists and materials scientists and to simplify mathematically-motivated research in this interdisciplinary subject. Currently we exclusively focus on a plane-wave discretisation of density-functional theory (PWDFT) as implemented in plenty of mature packages in the community (Abinit, Quantum Espresso, VASP, ...).

DFTK is mainly born from two realisations: Firstly, existing PWDFT progams have huge code bases, where reducing or altering the physical model to a case, which can be treated with rigorous mathematics is very challenging. As a result mathematical research is done in custom codes developed mostly for the purpose of a single project or research questions and findings hardly make it into a setting useful for practitioners. Secondly, such single-purpose custom codes are usually are not fast enough to treat the setting of real-world applications. This prevents verification of obtained results in the context actually relevant in practice. With DFTK we want to overcome this issue by allowing in one code to both implement toy problems and upscale them to the high-performance level needed in practice.

As of now, we're certainly not fully there, but given the short time, we're still proud of our feature list:

• Plane-wave basis sets
• All LDA and GGA functionals from libxc
• Modelling of Insulators and metals (Fermi-Dirac or Methfessel-Paxton smearing)
• GTH or HGH Pseudopotentials
• Exploitation of Brillouin zone symmetry for k-Point sampling
• Band structure computation
• Full access to intermediate quantities (density, Bloch wave)
• Three SCF algorithms (DIIS, NLsolve, damping)
• Close agreement with Abinit for a few thoroughly tested cases (silicon, graphite, manganese).
• Support for both single and double precision throughout the library for a small set of functionals. Support for arbitrary floating point types is on the way.

Recently we moved the code to JuliaMolSim a github organisation, where we want to collect Julia codes for performing molecular simulations in quantum chemistry and materials science. Along with this we registered the release with the MolSim Julia registry, which means that you can install DFTK by two simple steps:

1. Add the MolSim registry to your Julia installation. Type from a Julia REPL:

] registry add https://github.com/JuliaMolSim/MolSim.git

1. Install DFTK as usual, again from a REPL:

] add DFTK

For the time being, DFTK will probably stay in the pre-release stage, as we are not yet completely happy with the internal code structure and the API and we think some more restructuring should follow. Still, we consider the code now sufficiently advanced to suggest you to have a look and try it out :). With this naturally comes a small plea: If you discover something, which bothers you or something, which does not work, please open an issue on github and pose it for discussion. Also we are very happy if you want to contribute something, please just get going!

For further details and the DFTK source code, see the DFTK project page on github. Citations to the DFTK source code are possible using DOI 10.5281/zenodo.3541724.

Liebe RaumZeitLaborierende!

Bei unserem nächsten Ausflug geht die Post ab! Auch wenn der Leiter des Museums für Kommunikation in Frankfurt “Gold” mit Nachnamen heißt, dreht sich dort das meiste um die Farbe Gelb.

Am Sonntag, den 1. Dezember 2019, haben wir ab 13 Uhr die Möglichkeit durch die Dauerausstellung des ehemaligen Post-Museums geführt zu werden und zu schauen, welche Erfindungen und technischen Entwicklungen unsere heutige Kommunikation möglich machen. Falls euch interessiert, was ein Reiseruf ist, ihr alte Telefonzellen bewundern, einen Kraftpostbus und eine Briefsortieranlage von Nahem sehen wollt, dann solltet ihr bei dieser Adventstour dabei sein. Im Anschluss werden wir nach aktuellem Planungsstand auch die Funkstation auf dem Museumsdach besuchen können.

Für RaumZeitLaborierende ist diese Führung kostenlos, Nicht-Mitglieder bitten wir um 5 Euro für die RZL-Tourenkasse. Da diese Führung auf 15 Plätze beschränkt ist, bitte ich bis zum 24. November 2019 um Rückmeldung per elektronischem Briefchen.

Goldgelbe Grüße
FlederrattY

Over the part year or so a side project I have been working off and on has been the adcc code. This python module allows to perform excited states calculation for simulating molecular spectra based on algebraic-diagrammatic construction (ADC) methods. The speciality of the adcc code is that (a) multiple host programs are supported for supplying a Hartree-Fock reference, right now pyscf, Psi4, molsturm and veloxchem, and (b) that its hybrid C++/python design allows to implement a large part of the ADC procedure including iterative solver schemes in python and still achieve the speed required for larger ADC calculations. The code development has been a collaboration with multiple members from the old group of my PhD times, the Dreuw group from Heidelberg. Finally, today, we are publicly releasing the code following the submission of our paper on adcc last week (download link).

I have already talked about adcc and ADC methods before (see also my research interests), so I'll be brief with my summary about these. The ADC scheme builds upon the fact that the poles of the polarisation propagator, i.e. the two-particle Green's function, contains the physical information for describing excited electronic states and their properties. Using a Møller-Plesset partitioning of the Schrödinger Hamiltonian one may construct a perturbative expansion for said polarisation propagator. In the ADC approach this is done using a particular representation basis for the many-body states of the Schrödinger Hamiltonian, the so-called intermediate state basis. The outcome are a perturbative series of matrices, the so-called ADC matrices corresponding to the ADC(n) series of methods. The ADC matrices contain exactly the spectral information of the polarisation propagator consistent to order n of a Møller-Plesset expansion of the correlated ground state. Diagonalising this matrix, thus allows to obtain excitation energies and excited-state properties. For more details, see for example the theory section in the adcc documentation.

As we discuss in our paper, in adcc the basic procedure of building and diagonalising the ADC matrix is implemented in a hybrid C++/python code. The aim was to keep everything, including intermediate results, accessible from the python layer, while implementing the computationally intensive parts in C++. As a result, the code is comparable to C++-only implementations in speed, such that it can be used to e.g. treat biomolecular systems. The iterative diagonalisation procedure and other aspects of the numerics are implemented completely in python, facilitating experimenting on the numerical level in the future. Multiple variants of ADC are available up to and including ADC(3), i.e. a treatment of the polarisation propagator consistent to third-order. Originally adcc grew out of my desire to use another ADC code, which is developed in the Dreuw group, namely the adcman code, interactively from python. In its current state, however, adcc has well grown beyond being a plain wrapper around adcman. The internal code structure and workflows of both packages have very little in common, albeit the general methodology to solve ADC of both packages is certainly related. The design of adcc aims to simplify working with ADC methods as a developer, but also facilitating the use and extension of existing workflows by everyday users. For more details and a couple of examples, see the paper, or the Performing calculations with adcc section of the adcc documentation. Installing adcc is simple. Given that a few requirements (such as openblas on Linux) are available, it boils down to using pip:

pip install pybind11
pip install adcc

The full abstract reads

ADC-connect (adcc) is a hybrid python/C++ module for performing excited state calculations based on the algebraic-diagrammatic construction scheme for the polarisation propagator (ADC). Key design goal is to restrict adcc to this single purpose and facilitate connection to external packages, e.g., for obtaining the Hartree-Fock references, plotting spectra, or modelling solvents. Interfaces to four self-consistent field codes have already been implemented, namely pyscf, psi4, molsturm, and veloxchem. The computational workflow, including the numerical solvers, are implemented in python, whereas the working equations and other expensive expressions are done in C++. This equips adcc with adequate speed, making it a flexible toolkit for both rapid development of ADC-based computational spectroscopy methods as well as unusual computational workflows. This is demonstrated by three examples. Presently, ADC methods up to third order in perturbation theory are available in adcc, including the respective core-valence separation and spin-flip variants. Both restricted or unrestricted Hartree-Fock references can be employed.