[gmx-users] gmx in parallel

[Mark Abraham]

On Apr 22, 2013 4:47 AM, "Ayesha Fatima" <ayeshafatima.69 at gmail.com> wrote:
>
> Dear All,
> i am new to gromacs. I have already installed gromacs and using it for
some
> basic simulation. i want to set up a parallel system since i have GPU and
> CUDA installed Quad core CPU. I have been running amber on it
successfully.
> i went thru the mailing list as well as the documentation. I am not very
> clear on the step-by-step installation/configuration. I am sure many of
you
> have done it. would someone be kind enough to list the steps of making
> parallel, once serial is already running correctly.

Unfortunately, that's not very practical for anyone to do. There are too
many variables for a one-size-fits all recipe. The
http://www.gromacs.org/Documentation/Installation_Instructions discuss the
relevant issues, and there is more background at
http://www.gromacs.org/Documentation/Acceleration_and_parallelization

Mark

> Thanks
> ayesha fatima
> upm/um, malaysia
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