* I am writing to kindly follow up on my previous email and would be
grateful.*
On Fri, Dec 12, 2025 at 12:21 PM Dulal Mondal <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
> 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.*
>
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Sat Dec 13 2025 - 00:00:03 PST
