POSCAR, INCAR and KPOINTS ok, starting setup

*****************************

Error running VASP parallel with MPI

Fatal error in PMPI_Alltoallv: Other MPI error, error stack:

PMPI_Alltoallv(665).............: MPI_Alltoallv(sbuf=0x10b71120, scnts=0x103184e0, sdispls=0x10318400, MPI_INTEGER, rbuf=0x10b967c0, rcnts=0x10318640, rdispls=0x10318560, MPI_INTEGER, comm=0xc4000003) failed

MPIR_Alltoallv_impl(416)........: fail failed

MPIR_Alltoallv(373).............: fail failed

MPIR_Alltoallv_intra(226).......: fail failed

MPIR_Waitall_impl(221)..........: fail failed

PMPIDI_CH3I_Progress(623).......: fail failed

pkt_RTS_handler(317)............: fail failed

do_cts(662).....................: fail failed

MPID_nem_lmt_dcp_start_recv(302): fail failed

dcp_recv(165)...................: Internal MPI error! Cannot read from remote process

Two workarounds have been identified for this issue:

1) Enable ptrace for non-root users with:

echo 0 | sudo tee /proc/sys/kernel/yama/ptrace_scope

2) Or, use:

I_MPI_SHM_LMT=shm

while no errors in outcar file but it stops writing oszicar file. Either shows job finished with above error in vasp.out else keep running the job but not writting anything.

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