[AMBER] running RISM/MD on multi processors

From: Jingyi Yan <jyan7.ualberta.ca>
Date: Tue, 2 Aug 2016 15:26:16 -0600

Hi all,

I am running MD simulations coupled with 3d-RISM calculations. When I run
the system on 96 processors, it reported that: Must have more residues than
processors!

Since RISM/MD simulation is super time consuming, and I am wondering if I
can use more processors to calculate.

Thanks!
Joy
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 02 2016 - 14:30:02 PDT
Custom Search