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To test

andy edited this page Oct 27, 2026 · 97 revisions

Last updated: 2026-10-27 02:00. Hand checks waiting for a person at the screen. An item is added when a fix is merged and removed when it has been checked; anything that fails goes back to its issue. "In build" is the first commit that contains the fix: the package you test must be that build or later.

How to help: anyone can take an item. Install the build named (packages from the latest CI run on main, or build as in GETTING_STARTED.md), follow "How to test", and comment on the linked issue: what you did, what you saw, operating system and version, and a screenshot if something looks wrong.

Linux, on main

Check How to test What to look for Issue In build
GROMACS launch messages GROMACS Dynamics: Dynamics tab, constant pressure on, pressure relaxation time 0.5 ps; Run settings, barostat interval 100; time step 2 fs (the default). Launch The launch check stops on grompp's warning; the message says 'Dynamics tab, pressure relaxation time (tau-p)' and 'Run settings, barostat interval (nstpcouple)' instead of bare .mdp keys, and suggests a larger relaxation time #527 169c1982
Allocation profiles Launcher, machine KebnekaiseX: Save as profile… (e.g. Project, with the hpc2n2026-351 account); then switch Profile (moving to Register Machines, #541 reopened) Fields fill from the chosen profile; Default keeps your old values; a launched calculation reopens on its own profile #541 deb 1f4fd35d (10-27 12:50)
Allocation left Summary of a running Kebnekaise calculation (with the ssh connection open) Launch Info shows Allocation: and Left: … % of … CPU-h/month used (past 30 days) (checked hh:mm) #613 deb 1f4fd35d (10-27 12:50)
Ar drawn, water whole Delete Examples/General_Chemistry, File > Open Example Calculations > General Chemistry, wait for the import to finish; open ar-gas, then water-spce Argon atoms visible (pale, white); water molecules whole, no bonds across the box #560 deb 128310c8 (10-27 13:35)
Density Profile pick on a cluster 01_Nb10O28Li_5m_s1_orca_optfreq: Density Profile, click one atom, then a second No freeze: the first click sets the line's first atom, the second draws the line #629 deb 128310c8 (10-27 13:35)
Density Profile pick on an atom Any single atom or diatomic (e.g. General Chemistry atoms): Density Profile, click an atom Opens the profile around that atom, as before #629 deb 128310c8 (10-27 13:35)

Windows

Check How to test What to look for Issue In build
Panel out of the Viewer Viewer on any example with a plot (e.g. Vibrations): drag the panel's title bar out of the window; then Tools > Dock Floating Panels The panel becomes its own window and can be resized; Dock Floating Panels puts it back — 9.4.1

macOS

Check How to test What to look for Issue In build
Panel out of the Viewer Viewer on any example with a plot (e.g. Vibrations): drag the panel's title bar out of the window; then Tools > Dock Floating Panels The panel becomes its own window and can be resized; Dock Floating Panels puts it back — 9.4.1

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