AMBER Archive (2007)

Subject: Re: Re :Re: AMBER: multiple excecution of sander

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Mon May 21 2007 - 09:12:59 CDT


this sounds like you have a serious problem with your
system installation and is probably not related to Amber.
check with your system administrator.

On 5/18/07, Achuth Prabhu <achuthpnr_at_yahoo.co.in> wrote:
>
> dear sirs,
> thank you for your reply.
> im using a server with 4 cpus and iam unable to
> install the parallel version because of some c
> compiler problems.when i tried tio install the mpi
> libraries first, it said the c compiler cannot create
> executables. the MD using sander is taken up by only
> one cpu (why it is always 12% ?) . thats why I asked
> such a question.now i reinstalled the serial version.
> i tried three sander MDs simulatneously and the system
> now uses two of its cpus (12% each) (much better than
> one cpu i think). is there any solution to this? the
> system is running somewhat slower during working.
>
> thanks in advance
>
> achu
>
> --- Carlos Simmerling <carlos.simmerling_at_gmail.com>
> wrote:
>
> > sander itself has no limit. your computer may run
> > slowly
> > with multiple sander instances but you need to be
> > more clear
> > about what kind of problem you are talking about and
> > waht computer(s) you are using.
> >
> > On 5/17/07, Achuth Prabhu <achuthpnr_at_yahoo.co.in>
> > wrote:
> > >
> > > sir,
> > > Kindly tell me if amber provides multiple
> > execution
> > > of sander simultaneously. if so also tell me the
> > > maximum no of sander programs that can be run
> > > simultaneously.
> > >
> > >
> >
>
>
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