Page 1 of 1

Intel mpi error

Posted: Sat Jun 29, 2024 4:22 pm
by basant_ali
I have compiled VASP using the intel compiler. However, when running jobs, they worked well for the first few jobs. Then, I started receiving the following error.
Abort(876157327) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Alltoall: Other MPI error, error stack:
PMPI_Alltoall(403).........................: MPI_Alltoall(sbuf=0x14b12845d020, scount=2240, MPI_DOUBLE_PRECISION, rbuf=0xeaa6b20, rcount=2240, datatype=MPI_DOUBLE_PRECISION, comm=comm=0xc4000009) failed
MPIDI_Alltoall_intra_composition_alpha(966):
MPIDI_NM_mpi_alltoall(717).................:
MPIR_Alltoall_intra_scattered(99)..........:
MPIR_Waitall(176)..........................:
MPIR_Waitall_impl(55)......................:
MPIDI_Progress_test_impl(195)..............:
MPIDI_OFI_handle_cq_error(991).............: OFI poll failed (ofi_events.h:991:MPIDI_OFI_handle_cq_error:Invalid argument)
Abort(876157327) on node 32 (rank 32 in comm 0): Fatal error in PMPI_Alltoall: Other MPI error, error stack:

Attached are the input files and the OUTCAR and error file.

Re: Intel mpi error

Posted: Wed Jul 03, 2024 8:20 am
by pedro_melo
Dear basant_ali,

This does not seem like a VASP error, but something related to the modules in your machine. By looking at your error file there seems to be some contradictory information regarding what modules are loaded.

Is there a way for you to confirm this by submitting a smaller job (with the same script) or running VASP on an interactive queue?

Kind regards,
Pedro

Re: Intel mpi error

Posted: Sat Jul 06, 2024 9:41 pm
by basant_ali
Dear Pedro,

Thank you for your reply. This error was solved when I updated the intel, impi, and mkl used for compiling VASP.

Thank you,
Basant