[gmx-users] Runtime on 8 processors

Sumanth M. Kumar s.kumar at irri.org
Fri Sep 23 08:37:10 CEST 2011

Hi everyone,

I did a simulation in an amazon cluster with 7.5 GB memory and 4 EC2 Compute
Units (2 virtual cores with 2 EC2 Compute Units each) and it was done with
0.5ns/day. Now Im running a simulation in another amazon cluster of 7 GB of
memory and 20 EC2 Compute Units (8 virtual cores with 2.5 EC2 Compute Units
each), but still the speed is same even if i use "mpirun -np 8" with the
mdrun, and finally its taking the same time as 2core system, i.e. 0.5ns/day.
I would like to know whether I should make any changes during compilation?
I had enabled mpirun while compiling GROMACS. Do I need to make any changes,
so that it will consider all the 8 processors?

Thank you very much.


*Sumanth Kumar.M
On-the-Job Trainee
Plant Molecular Biology Lab.
Plant Breeding, Genetics and Biotechnology
International Rice Research Institute
DAPO-7777, Metro Manila
Tel :   +63- 9163129718
email : s.kumar at irri.org
               sumanthkumar07 at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110923/4d95809d/attachment.html>

More information about the gromacs.org_gmx-users mailing list