Dear Experts,
I submit a REAF job using pmemd.cuda.MPI. But the error is
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status,
thus causing
the job to be terminated. The first process to do so was:
Process name: [[41136,1],2]
Exit code: 255
--------------------------------------------------------------------------
and
*cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol*
But amber 24 installation using cuda 11.7 and openmpi version 4.1.2 is
successfully completed.
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Thu Dec 11 2025 - 23:00:02 PST
