[gmx-users] 5ns simulation in 2 hours

Smith, Micholas D. smithmd at ornl.gov
Thu Oct 29 13:56:10 CET 2015

A few clairfying questions:

1) What is the size of the system?
2) What is your frame saving rate?
3) Are you using a GPU? What about MPI or OpenMP?

60ns a day (what 5ns/2hours) is not unheard of given a reasonable system size and GPU acceleration. If you are curious about the performance you can always check your log files and see what is going on.


Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics

From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Sana Saeed <bioinformatic.lady at yahoo.com>
Sent: Wednesday, October 28, 2015 11:24 PM
To: gromacs.org_gmx-users
Subject: [gmx-users] 5ns simulation in 2 hours

hi gmx users!i run 5 ns simulation and it took only 2 hours..is it possible? its showing no error..
Regards Autumn
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