Dear Amber Experts,
I am trying to run amber14 using parallel GPUs.
I have 2 "GeForce GTX TITAN X" cards installed
in my workstation and having cuda-7.5 libs.
Individual GPUs are performing but when I run
pmemd.cuda.MPI, it gives me the following error:
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
I then referred to the Amber website to check why GPU communication
is failing. I downloaded "check_p2p.tar.bz2" program from the amber site
and getting the following output upon running.
[biplab.proline check_p2p]$ ./gpuP2PCheck
CUDA_VISIBLE_DEVICES is unset.
CUDA-capable device count: 2
GPU0 "GeForce GTX TITAN X"
GPU1 "GeForce GTX TITAN X"
Two way peer access between:
GPU0 and GPU1: NO
Can anyone help me on how to configure my system, so that both
GPU can work in parallel.
Many thanks and regards
Biplab Ghosh
Bhabha Atomic Research Center, Mumbai
India.
--
"Simplicity in life allows you to focus on what's important"
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Received on Mon May 23 2016 - 04:00:03 PDT
