globus-labs / mof-generation-at-scale / 14452762993

48%

Build Type

push

github

Committed by web-flow

Commit Message

Many bug fixes found during scale tests (#192)

* Print more GPU stats, fix threads for training works

* Make a script for compressing run files

* Write neither ligand file nor stack traces

Also switch to different uptake units

* Also compact results files

* Do not place workers on Rank 0

* Delay importing torch

* Insert cube file outputs into pwdft input

* Flake8 and test fix

* Flake8 fix

* Increase the number of redis clients

* Don't skip rank 0 on small jobs

* Keep CP2K alive if it succeeds

* Bug fix: Don't drop if missing

Not sure why that'd be the case, but w/e

* Prevent killing all workers if one dies

* Flake8 fixes

* Copy files over from run directory

Run Details

37 of 47 new or added lines in 6 files covered. (78.72%)

2 existing lines in 2 files now uncovered.

4456 of 9819 relevant lines covered (45.38%)

0.45 hits per line