[gmx-users] parallel computing

[Carsten Kutzner]

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  
Gromacs with
--enable-mpi and run with mpirun -np <number of cores> mdrun -s ...


Carsten