[gmx-users] gmx in parallel

Mark Abraham mark.j.abraham at gmail.com
Mon Apr 22 23:31:46 CEST 2013

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
> 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
> 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
> 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


> Thanks
> ayesha fatima
> upm/um, malaysia
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list