[CP2K-user] [CP2K:20416] Issue with MPI Calculation on HPC Cluster for CP2K calculation

YOUNES AKABLI younes.akabli at um5r.ac.ma
Thu Jul 4 11:42:30 UTC 2024


Dear CP2K developers,

I am encountering a problem with my HPC calculations using MPI, and I am
hoping to get some advice. The calculations stop after running for many
iterations, and the following error message appears in the output:

[1720057345.854198] [slurm-compute-h21b5-u11-svn2:1134341:0]
cma_ep.c:85 UCX ERROR process_vm_readv(pid=1134334 length=13824)
returned -1: No such process
[1720057345.855245] [slurm-compute-h21b5-u11-svn2:1134336:0]
cma_ep.c:85 UCX ERROR process_vm_readv(pid=1134334 length=13824)
returned -1: No such process

*******************************************************************************
*   ___                                                                 *
*  /   \                                                               *
* [ABORT]                                                              *
*  \___/       MPI error 17 in mpi_waitany @ mp_waitany: MPI_ERR_INTERN: *
*    |           internal error                                        *
*  O/|                                                                 *
* /| |                                                                 *
* / \                                mpiwrap/message_passing.F:1110    *
*******************************************************************************


Attached, you will find the bash script, the output file, and the SLURM
output file. If anyone has any ideas or has seen this issue before, I would
greatly appreciate your help.

Thank you in advance for your assistance.


Kind regards,

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