Dear Amber users,
I have installed AMBER20 with CUDA 9.0 and openmpi-3.0.0. I
tried running the production run using pmemd.cuda. But it's showing the
error which is given below. Any suggestion is highly appreciated.
cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
-------------------------------------------------------
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: [[58677,1],1]
Exit code: 255
--------------------------------------------------------------------------
Unit 9 Error on OPEN: pstep_1.rst
STOP PMEMD Terminated Abnormally!
Unit 9 Error on OPEN: pstep_1.rst
STOP PMEMD Terminated Abnormally!
Thanks
Sathyaseelan
--
*Thanks & Regards*
*C .Sathyaseelan *
*PhD Research Scholar*
*C/o Dr. Thenmalarchelvi Rathinavelan*
*Molecular Biophysics Lab*
*Dept. of Biotechnology*
*Indian Institute of Technology (IIT)*
*Kandi, Hyderabad, Telangana - 502285*
*Ph.No 6383836804, 8300150807*
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Received on Wed Apr 06 2022 - 21:00:03 PDT
