[gmx-users] parallel computing
ckutzne at gwdg.de
Mon Jun 22 16:55:04 CEST 2009
On Jun 22, 2009, at 4:43 PM, akalabya bissoyi wrote:
> hello everybody
> i am running my gromacs in PC, it takes me lot of time for running
> my simulation.
> Can anybody help me regarding parallel computing using my PC so that
> my simulation will be faster.
> Any materials/protocol so that i can make my own cluster using my
> PC (minimum resources) ?
If you have more than one core on your PC you can do parallel
simulations using MPI.
Install some MPI library, e.g. OpenMPI or LAM and afterwards compile
--enable-mpi and run with mpirun -np <number of cores> mdrun -s ...
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