TURBOMOLE Users Forum
TURBOMOLE Modules => Aoforce and Numforce => Topic started by: mariavd on September 01, 2022, 09:23:59 AM
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Hello,
I am benchmarking two computers, and I tried using aoforce on one core in MPI mode but I get the following error in the SLURM output file:
Abort(873047558) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Irecv: Invalid rank, error stack:
PMPI_Irecv(152): MPI_Irecv(buf=0x7ffd38b029c0, count=1, dtype=0x4c000829, src=1, tag=MPI_ANY_TAG, MPI_COMM_WORLD, request=0x7ffd38b027c4) failed
PMPI_Irecv(95).: Invalid rank has value 1 but must be nonnegative and less than 1
The same script runs dscf fine. Replacing the number of cores to 2 also runs fine. Running it in SMP mode works, too.
Is aoforce simply not supposed to be run on one core in MPI mode?