[gmx-users] 5ns simulation in 2 hours

[gozde ergin]

I run 20ns simulation in 3.5hours and I assumed it is correct.
My system size is 2.5x2.5x12.5nm with 512 water and 50 organics molecules.
I do not use GPU.

On Thu, Oct 29, 2015 at 2:04 PM, Jorge Fernandez-de-Cossio-Diaz <
j.cossio.diaz at gmail.com> wrote:

> 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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