Re: information about simulation speed

From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Tue Dec 02 2014 - 17:22:28 CST

Hi Kohlmeyer,

Thanks for your reply. I can get like : TIMING: 6000 CPU: 249.167,
0.0412392/step Wall: 249.167, 0.0412392/step, 1.0768 hours remaining,
145.500000 MB of memory in use. Should I wait till the end of job?

Regards
Kshatresh

On Wed, Dec 3, 2014 at 1:07 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Tue, Dec 2, 2014 at 6:04 PM, Kshatresh Dutta Dubey
> <kshatresh_at_gmail.com> wrote:
> > Yes, but I found like :
> >
> > WallClock: 569.721008 CPUTime: 569.721008 Memory: 128.992188 MB,
> >
> > Can we get information in simulation time like ns/day or ps/day?
>
> look closer!
>
>
> >
> > On Wed, Dec 3, 2014 at 12:53 AM, Axel Kohlmeyer <akohlmey_at_gmail.com>
> wrote:
> >>
> >> On Tue, Dec 2, 2014 at 5:50 PM, Kshatresh Dutta Dubey
> >> <kshatresh_at_gmail.com> wrote:
> >> > Dear User,
> >> >
> >> > Is there any way to get the information about the simulation speed in
> >> > namd?
> >> > I know some package like amber prints the speed of simulation in
> mdout.
> >>
> >> have you looked at the NAMD output???
> >>
> >> >
> >> > Regards
> >> > Kshatresh
> >> >
> >>
> >>
> >>
> >> --
> >> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> >> College of Science & Technology, Temple University, Philadelphia PA, USA
> >> International Centre for Theoretical Physics, Trieste. Italy.
> >
> >
> >
> >
> > --
> > With best regards
> >
> ************************************************************************************************
> > Kshatresh Dutta Dubey
> > Post Doctoral Researcher,
> > Lise Meitner Center for Computational Quantum Chemistry
> > Hebrew University of Jerusalem Israel
> > Jerusalem, Israel
> >
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>

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