[gmx-users] 5ns simulation in 2 hours

[Jorge Fernandez-de-Cossio-Diaz]

Also check your time step size. A large time step can lead to numerical
errors, but you will run more ns/day

On Thu, Oct 29, 2015 at 8:56 AM, Smith, Micholas D. <smithmd at ornl.gov>
wrote:

> 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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