NAMD on Stampede 2

From: Chitrak Gupta (
Date: Thu Oct 05 2017 - 18:23:05 CDT


I am trying to run NAMD on Stampede 2 but it is not scaling the way it
should. Here is what I have in my submission script

*module load intel/16.0.3module load impimodule load namd/2.12mpiexec -np 2
namd2 +ppn 64 filename.conf > logfile.log*

I have also tried "ibrun" instead of mpiexec but the problem persists.


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