[NAMD] Running REUS in many nodes

From: The Cromicus Productions (thecromicusproductions_at_gmail.com)
Date: Tue Nov 20 2018 - 16:12:01 CST

Hi everyone,

I'd like to perform some replica exchange umbrella sampling simulations
using Stampede. For this, I would like to use 25 nodes and run each
replica in one full node. For example, if I would like to run the tutorial
from https://www.ks.uiuc.edu/Training/Tutorials/science/umbrella/
what should I do? I usually use the runbatch_latest_knl code to
run regular simulations on a single node.

Thanks a lot and happy Thanksgiving,


This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:21:33 CST