[gmx-users] gmx in parallel

Ayesha Fatima ayeshafatima.69 at gmail.com
Mon Apr 22 05:47:06 CEST 2013


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.
Thanks
ayesha fatima
upm/um, malaysia



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