NAMD with mpirun

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Mon Nov 24 2008 - 05:27:15 CST

Hi NAMD community,

Is there a way to run NAMD with mpirun? I use charmrun on our cluster, which
has been setup for mpirun, and the CPU usage comes to only ~20% for my NAMD
jobs (ie. my simulations are unnecessarily slow). Though I am not certain
that using mpirun would solve this problem, I thought it would be worth a
check.

Thanks,
Neelanjana

-- 
~~~~~~~~~~~~~~~~~~~~
Neelanjana Sengupta, PhD
Physical and Materials Chemistry Division
National Chemical Laboratory
Dr. Homi Bhaba Road
Pune 411008, India
Phone: +91-20-2590 2087
~~~~~~~~~~~~~~~~~~~~

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