{bio}[fosscuda/2019b] GROMACS v2020.3

[boegel]

(created using eb --new-pr)

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node3404.kirlia.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), Python 2.7.5
See https://gist.github.com/ca04dc1bdabf5819a4ab2a7e222e5d1b for a full test report.

[boegel]

@boegelbot please test @ generoso

[boegelbot]

@boegel: Request for testing this PR well received on generoso

PR test command 'EB_PR=11398 EB_ARGS= /apps/slurm/default/bin/sbatch --job-name test_PR_11398 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 7985

Test results coming soon (I hope)...

- notification for comment with ID 700743005 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

[boegelbot]

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
generoso-x-3 - Linux centos linux 8.2.2004, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/2dd35a4b4b72c4e67ceb703e28713dce for a full test report.

[smoors]

Test report by @smoors
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
node251.hydra.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz (broadwell), Python 2.7.5
See https://gist.github.com/0efd672fadfbd8da81e9fb827b30188a for a full test report.

[smoors]

Test report by @smoors
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
node251.hydra.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz (broadwell), Python 2.7.5
See https://gist.github.com/bc7ce694dacd7f80ec1f23a138c02ff3 for a full test report.

[smoors]

Test report by @smoors
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in this PR)
node251.hydra.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz (broadwell), Python 2.7.5
See https://gist.github.com/7c0c85280132109f15e05bea376435aa for a full test report.

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node3301.joltik.os - Linux centos linux 7.8.2003, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), Python 3.6.8
See https://gist.github.com/c4d66f1767467a559e306a5bf858dbc2 for a full test report.

[verdurin]

Test report by @verdurin
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
easybuild.novalocal - Linux centos linux 7.8.2003, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 2.7.5
See https://gist.github.com/08d482728e4bcaf1222472333b1a2714 for a full test report.

[verdurin]

@smoors any idea why your tests failed?

[smoors]

Test report by @smoors
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
node253.hydra.os - Linux centos linux 7.7.1908, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz (broadwell), Python 2.7.5
See https://gist.github.com/18d7e4c36c0bbee09b06e26668955b46 for a full test report.

[smoors]

@smoors any idea why your tests failed?

not sure here, but I think it has to do with the compute node being set to 'shared' or 'exclusive' and/or some stale processes keeping the GPU(s) occupied.

anyway, the last (manual) test was successful, so it's clearly a problem on our side and not with this PR.

[zao]

Test report by @zao
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in this PR)
freja - Linux Ubuntu 20.04, x86_64, Intel(R) Core(TM) i7-8700K CPU @ 3.70GHz, Python 3.8.2
See https://gist.github.com/abb4ad88b415155a2f6ed85abb5f370d for a full test report.

[verdurin]

Looks fine.

[verdurin]

Going in, thanks @boegel!