NAMD running on windows HPC question

From: Chewning, Joseph (
Date: Tue Sep 20 2011 - 07:58:43 CDT

Hi All,

I am running into a problem on our new Microsoft HPC system running NAMD. We have two computer nodes with 32 processors each. If we run the job on one node the bench marks look fine but if we run the job on both nodes it takes a lot longer. I am using the following command to run the job:

mpiexec -cores 64 \\HPC-PROD\NAMD\2.8\NAMD2.exe \\HPC-Prod\Jobs\Test_Job\ch25.conf > \\hpc-prod\Jobs\Test_Job\test_joe\namd.log<file:///\\hpc-prod\Jobs\Test_Job\test_joe\namd.log>

Is the CUDA code ready for testing yet?



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