NAMD with mpirun

From: Neelanjana Sengupta (
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


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

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:50:09 CST