From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Sat Mar 20 2021 - 18:11:59 CDT
What is the output of nvidia-smi? NAMD isn’t able to ask CUDA how many GPUs there are. Sometimes this is a driver issue, and sometimes this is just a compatibility issue between your hardware and what NAMD expects.
-Josh
From: <owner-namd-l_at_ks.uiuc.edu> on behalf of Suryanarayanan Chandrasekaran <suryanar_at_ualberta.ca>
Reply-To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>, Suryanarayanan Chandrasekaran <suryanar_at_ualberta.ca>
Date: Saturday, March 20, 2021 at 6:09 AM
To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
Subject: namd-l: Compiling namd2 in 2 GPU 2 CPU workstation
Hello,
I have a workstation with 2 CPU and 2 GPU. I downloaded NAMD_Git-2021-03-03_Linux-x86_64-multicore-CUDA and tried to compile it with the below options, I want to use all GPU for a single CPU or both the CPU and GPU in the workstation.
1) namd2 +p18 +idlepoll stmv.namd +setcpuaffinity +isomalloc_sync
2) namd2 +idlepoll +p4 +devices 0,1 <configfile>
But getting the same error
Charm++> Running on 1 hosts (2 sockets x 10 cores x 2 PUs = 40-way SMP)
Charm++> cpu topology info is gathered in 0.006 seconds.
Info: Built with CUDA version 10010
FATAL ERROR: CUDA error cudaGetDeviceCount(&deviceCount) in file src/DeviceCUDA.C, function initialize, line 135
on Pe 0 (surya): unknown error
FATAL ERROR: CUDA error cudaGetDeviceCount(&deviceCount) in file src/DeviceCUDA.C, function initialize, line 135
on Pe 0 (surya): unknown error
Thanks,
Surya
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