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set OpenMPI configuration for ORCA sanity check #2596

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merged 3 commits into from
Dec 1, 2021

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zemu-unile
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@zemu-unile zemu-unile commented Oct 12, 2021

This should fix OpenMPI errors during the orca sanity check, when hyperthreading is enabled but OpenMPI is not configured to count the hyperthreads as slot.
Error message on a system with 32 cores / 64 hardware threads

There are not enough slots available in the system to satisfy the 64
slots that were requested by the application

This error did not happen when building with slurm.

@smoors
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smoors commented Dec 1, 2021

Test report by @smoors

Overview of tested easyconfigs (in order)

  • SUCCESS ORCA-5.0.1-gompi-2021a.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node308.hydra.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6148 CPU @ 2.40GHz (skylake_avx512), Python 2.7.5
See https://gist.github.com/3575e432ed379d1a7c50815b0a293486 for a full test report.

@smoors smoors added the bug fix label Dec 1, 2021
@smoors smoors added this to the next release (4.5.1?) milestone Dec 1, 2021
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lgtm

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smoors commented Dec 1, 2021

Going in, thanks @zemu-unile!

@smoors smoors merged commit 0f67073 into easybuilders:develop Dec 1, 2021
@boegel boegel changed the title Set OpenMPI configuration for orca sanity check set OpenMPI configuration for ORCA sanity check Dec 7, 2021
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3 participants