Dear Mary,
In AMBER11 and AMBER12 too there are:
sander (serial on 1 CPU),
sander.mpi (parallel on CPU-s),
pmemd (serial on 1 CPU),
pememd.mpi (parallel on CPU-s),
pmemd.cuda (on one GPU),
pmemd.cuda.mpi (parallel on GPU-s).
The brief descriptions of sander and pmemd are on
http://ambermd.org/#code,
*Code overview* section.
Regards,
Robi
2012/9/24 Mary Varughese <maryvj1985.gmail.com>
> Sir,
>
> Then sander would have no improvement in efficiency?
> Also the amber11 licenced is using or is there any other version for using
> with cuda.
>
> Thanking you
> On Mon, Sep 24, 2012 at 11:08 AM, filip fratev <filipfratev.yahoo.com
> >wrote:
>
> > Hi,
> > Only pmemd.cuda.
> >
> > All the best,
> >
> >
> >
> > ________________________________
> > From: Mary Varughese <maryvj1985.gmail.com>
> > To: AMBER Mailing List <amber.ambermd.org>
> > Sent: Monday, September 24, 2012 7:03 AM
> > Subject: [AMBER] cuda
> >
> > Sir,
> >
> > Does installing AMBER11 with NVIDA CUDA on GPU machine works fine for
> > sander too for parallel. On going through details i notice only
> pmemd.cuda
> > and not any sander.cuda.
> > Would you please clear this. It will help me to understand the situation.
> >
> > Thanking you
> > --
> > Mary Varughese
> > Research Scholar
> > School of Pure and Applied Physics
> > Mahatma Gandhi University
> > India
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Mary Varughese
> Research Scholar
> School of Pure and Applied Physics
> Mahatma Gandhi University
> India
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 24 2012 - 08:00:03 PDT
