Timeline for OpenMPI not running under SLURM in UBUNTU with ORCA?
Current License: CC BY-SA 4.0
24 events
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| Feb 13 at 15:09 | comment | added | Kristof Bal |
@ShernRenTee thanks for adding the fact that --cpus-per-task=1 is also needed, I implicitly assumed the OP would try this, but without your comment they didn't
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| Feb 13 at 12:52 | comment | added | Shern Ren Tee | I'm very happy that the bounty went to @KristofBal -- their comment was much earlier than mine. | |
| S Feb 13 at 11:55 | history | bounty ended | Another.Chemist | ||
| S Feb 13 at 11:55 | history | notice removed | Another.Chemist | ||
| Feb 13 at 11:55 | vote | accept | Another.Chemist | ||
| Feb 13 at 11:06 | comment | added | Kristof Bal | I've created an answer | |
| Feb 13 at 11:06 | answer | added | Kristof Bal | timeline score: 4 | |
| Feb 13 at 10:30 | comment | added | Another.Chemist | @KristofBal please, write an answer to give you the bounty | |
| Feb 13 at 9:06 | comment | added | Another.Chemist | @ShernRenTee and KritofBal, yes, it runs. Please, one of you, write an answer to give you the bounty. It runs with setting up the threads in the input ORCA and on the BASH script to submit with SLURM | |
| Feb 13 at 8:30 | comment | added | Shern Ren Tee |
Dear OP -- I agree with @KristofBal on trying --ntasks-per-node=8, and you also need --cpus-per-task=1. With your posted settings SLURM creates one task for orca which then calls mpirun -np 8 ... -- an eight-task OpenMPI run. That can't end well. You say you've tried it -- please post the ntasks 8 script you've tried and the resulting output.
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| Feb 12 at 13:07 | comment | added | Nike Dattani - No Free Time | Please ping me on Saturday if you don't have an answer yet. Use need to use the @ symbol to ping me. | |
| Feb 12 at 12:53 | history | edited | Another.Chemist | CC BY-SA 4.0 |
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| S Feb 12 at 8:39 | history | bounty started | Another.Chemist | ||
| S Feb 12 at 8:39 | history | notice added | Another.Chemist | Canonical answer required | |
| Feb 9 at 12:36 | comment | added | Another.Chemist | @KristofBal I tried but it did not work, What I understand about the issue is that slurm does not communicate with openmpi. | |
| Feb 9 at 12:29 | comment | added | Kristof Bal |
wouldn't using --ntasks-per-node=8 be more appopriate? given that MPI creates multiple tasks
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| Feb 9 at 3:20 | answer | added | isolated matrix | timeline score: 2 | |
| Feb 7 at 15:44 | history | edited | Another.Chemist | CC BY-SA 4.0 |
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| Feb 7 at 15:39 | history | edited | Another.Chemist | CC BY-SA 4.0 |
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| Feb 7 at 15:29 | comment | added | Another.Chemist | @NikeDattani The post has been updated. Thank you for any insight. | |
| Feb 7 at 15:28 | history | edited | Another.Chemist | CC BY-SA 4.0 |
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| Feb 7 at 14:09 | comment | added | Nike Dattani - No Free Time | +1 but please include all input files and submission scripts in text format rather than a screensot. I'm not going to type all of that to try to reproduce and debug your error. | |
| Feb 6 at 15:46 | history | edited | Another.Chemist | CC BY-SA 4.0 |
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| Feb 6 at 15:03 | history | asked | Another.Chemist | CC BY-SA 4.0 |