Skip to content

set OpenMPI configuration for ORCA sanity check#2596

Merged
smoors merged 3 commits intoeasybuilders:developfrom
zemu-unile:20211012100057_new_pr_orca
Dec 1, 2021
Merged

set OpenMPI configuration for ORCA sanity check#2596
smoors merged 3 commits intoeasybuilders:developfrom
zemu-unile:20211012100057_new_pr_orca

Conversation

@zemu-unile
Copy link
Copy Markdown
Contributor

@zemu-unile zemu-unile commented Oct 12, 2021 •
edited
Loading

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.

akesandgren
akesandgren reviewed Oct 12, 2021
View reviewed changes
Comment thread easybuild/easyblocks/o/orca.py Outdated
@smoors smoors mentioned this pull request Nov 29, 2021
Merged
@smoors
Copy link
Copy Markdown
Contributor

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
smoors
smoors approved these changes Dec 1, 2021
View reviewed changes
Copy link
Copy Markdown
Contributor

@smoors smoors left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

lgtm

@smoors
Copy link
Copy Markdown
Contributor

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
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

@akesandgren akesandgren akesandgren left review comments

@smoors smoors smoors approved these changes

Assignees

No one assigned

Labels

bug fix

Projects

None yet

Milestone

4.5.1

Development

Successfully merging this pull request may close these issues.

3 participants

@zemu-unile @smoors @akesandgren