Mark Abraham wrote:
Subhrangshu Supakar wrote:
Dear All,
I have a few questions about installing gromacs in a parallel set up:
I am planning to use a parallel system consisting of 4 x3650 boxes
connected to each other with a gigabit switch and the same OS
installed in all the three. The MPI would be LAM/MPICH and the boxes
will use their own HDDs. GROMACS will be installed in all of them with
the mpi option.
Now, does GROMACS (mdrun) write the output files on NODE0 only?
No.
Do I have to copy the run input files to all the boxes?
Each MPI process needs to run the same executable with the same input
file - both need to be on a file system visible to the processor.
The input file is needed on node0 only, but all nodes write a small log
file. You probably need to setup NFS between the boxes.
It would be of great help to me if somebody can suggest a particular
type of cluster setup procedure (if any) suitable for running GROMACS .
www.rocksclusters.org
Mark
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