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reduce timestep to fix sanity check commands in LAMMPS 23Jun2022#19246

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boegel merged 3 commits intoeasybuilders:developfrom
laraPPr:20231116153024_new_pr_LAMMPS23Jun2022
Nov 16, 2023
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reduce timestep to fix sanity check commands in LAMMPS 23Jun2022#19246
boegel merged 3 commits intoeasybuilders:developfrom
laraPPr:20231116153024_new_pr_LAMMPS23Jun2022

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@laraPPr laraPPr commented Nov 16, 2023

(created using eb --new-pr)

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@boegel boegel changed the title reduce timestep to fix sanity check commands in LAMMPS reduce timestep to fix sanity check commands in LAMMPS 23Jun2022 Nov 16, 2023
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@laraPPr Please rename the patch file to make it clear for which LAMMPS version it is: something like LAMMPS-23June2022_fix-timestep-balance-example.patch

And then also use that patch in all existing easyconfigs for LAMMPS 23Jun2022

@boegel boegel added bug fix EESSI Related to EESSI project labels Nov 16, 2023
@boegel boegel added this to the next release (4.9.0?) milestone Nov 16, 2023
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lgtm

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boegel commented Nov 16, 2023

@boegelbot please test @ generoso
CORE_CNT=16
EB_ARGS="LAMMPS-23Jun2022-foss-2021a-kokkos.eb LAMMPS-23Jun2022-foss-2021b-kokkos.eb LAMMPS-23Jun2022-foss-2022a-kokkos.eb "

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boegelbot commented Nov 16, 2023

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

PR test command 'EB_PR=19246 EB_ARGS="LAMMPS-23Jun2022-foss-2021a-kokkos.eb LAMMPS-23Jun2022-foss-2021b-kokkos.eb LAMMPS-23Jun2022-foss-2022a-kokkos.eb " EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_19246 --ntasks="16" ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 12177

Test results coming soon (I hope)...

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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).

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boegelbot commented Nov 16, 2023

Test report by @boegelbot
SUCCESS
Build succeeded for 3 out of 3 (3 easyconfigs in total)
cnx1 - Linux Rocky Linux 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/883227b51852787fb1290a59d28e2009 for a full test report.

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boegel commented Nov 16, 2023

Test report by @boegel
SUCCESS
Build succeeded for 5 out of 5 (5 easyconfigs in total)
node3307.joltik.os - Linux RHEL 8.8, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), 1 x NVIDIA Tesla V100-SXM2-32GB, 535.104.12, Python 3.6.8
See https://gist.github.com/boegel/5fe43927adc4a680b7737334d2ec73f9 for a full test report.

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boegel commented Nov 16, 2023

Going in, thanks @laraPPr!

@boegel boegel merged commit 3aca7ab into easybuilders:develop Nov 16, 2023
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