{bio}[foss/2021a] GROMACS v2021.3 w/ Python 3.9.5 + CUDA 11.3.1

[boegel]

(created using eb --new-pr)

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3900.accelgor.os - Linux RHEL 8.4, x86_64, AMD EPYC 7413 24-Core Processor (zen2), 1 x NVIDIA NVIDIA A100-SXM-80GB, 470.57.02, Python 3.6.8
See https://gist.github.com/67341313e55c0f4465db9c28d5af5828 for a full test report.

[boegel]

@boegelbot please test @ generoso
CORE_CNT=16

[boegelbot]

@boegel: Request for testing this PR well received on login1

PR test command 'EB_PR=14136 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_14136 --ntasks="16" ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 7078

Test results coming soon (I hope)...

- notification for comment with ID 943066382 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 total)
cnx1 - Linux rocky linux 8.4, x86_64, Intel(R) Xeon(R) CPU E5-2690 v3 @ 2.60GHz (haswell), Python 3.6.8
See https://gist.github.com/7e49fba6153bce7590784745c3dbd0e5 for a full test report.

[lexming]

Test report by @lexming
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node250.hydra.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz, 1 x NVIDIA Tesla P100-PCIE-16GB, 460.73.01, Python 2.7.5
See https://gist.github.com/a9ff96fa896c881376e3759a7dbbaa73 for a full test report.

[lexming]

LGTM

[lexming]

Going in, thanks @boegel !