[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

===================
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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