[gmx-users] [gmx-users]Running gromacs in parrallel environment.

[Vishal Kumar Sinha]

Gmx-users:
I have installed the parallel version of Gromacs in
the sun cluster machine. I have already installed
and configured the LAM-MPI in Sun cluster machine.

I have some question in regard to parralel versions
of MPI
1> Whether parallelism is introduced in FFTW
libraries or in gromacs code .
2> If it is in gromacs code, can it be possible to
explain how it is organized so that which code is
written in parrallel and which in sequential.

Further , I want to run modify demo program so that
I can run it on multiple nodes. Kindly let me know
the changes needed to be made.

Regards
Vishal

Graduate student
IIT Chicago