I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

10 August 2024 1 7K Report

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

MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM, comm=0x84000005) failed

MPIR_Allreduce_impl(1469): fail failed

MPIR_Allreduce_intra(432): Unable to allocate 77616 bytes of memory for temporary buffer (probably out of memory)

[mpiexec@Ahalool] ..\hydra\utils\sock\sock.c (420): write error (Unknown error)

[mpiexec@Ahalool] ..\hydra\utils\launch\launch.c (121): shutdown failed, sock 672, error 10093

Md. Tanvir Hossain

There is not enough space to perform the calculations. Parameters are too high and detailed. Try using low precision at first and slowly upgrade to high.

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