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Author Topic: MTP training technical stop  (Read 3417 times)

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Offline korandofficial

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MTP training technical stop
« on: July 4, 2022, 09:16 »
Hi there

I was running a mtp training and in step 75 of 111 in calculateEnergyForcesStress it has been corrupted with the following log:
"MKL_SCALAPACK_ALLOCATE in mr2d_malloc.c is unsucceseful, size = 2081745600 "
Could you please help me with this problem?

Bests regards
Korand
« Last Edit: July 4, 2022, 09:17 by korandofficial »
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Offline Julian Schneider

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Re: MTP training technical stop
« Reply #1 on: July 6, 2022, 11:52 »
Dear Korand,

thanks for reporting.
Looks like an issue in the parallelization. We have never encountered this issue in MTP training.
To be able to try and reproduce it and possibly fix it, we would need the script that you have been running and the details of the parallel settings, i.e. how many nodes/cores, ideally also which types of nodes, etc.

Best regards,
Julian
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