[gmx-users] gromacs on glacier.westgrid.ca

J. Rui Rodrigues joaquim.rodrigues at estg.ipleiria.pt
Wed May 20 12:24:02 CEST 2009


On Tue, 19 May 2009 14:23:07 -0600, Payman Pirzadeh wrote
> Hi Justin,
> Following is the script I use. But remember several points:
> ${MPIRUN} -np $NUM_PROCS -machinefile $PBS_NODEFILE -path
> ./global/home/pirzadeh/gromacs-4.0.4/bin/mdrun_d -deffnm npttest

You have a dot before /global/...   Are you sure this is the rigth path?

Hope this helps,
Rui Rodrigues

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