Hi,
you don't use -np ??? anymore, GROMACS use all the available (MPI
connected )CPU.
On 4/02/10 2:55 PM, Mark Abraham wrote:
On 04/02/10 14:42, edmund lee wrote:
Dear all,
I am new in Gromacs 4.0.7 before this I was using the GROMACS 3.3.3.....
I have some doubt in the grompp commands when i want to run in parallel
In Gromacs 3, I just use:
grompp_mpi -v -f _ _ _ -np 4
then,
mdrun_mpi -v -f -deffnm -np 4
but in Gromacs 4, I cant use 4 nodes in grompp in order to prepare tpr
file for 4 nodes to be used in mdrun_mpi....
there is no option -np in grompp and grompp_mpi
Is it there is change in the command?
or is due to other problems?
Did you search the GROMACS webpage? There's a FAQ for this...
http://www.gromacs.org/index.php?title=Documentation/FAQs
Mark
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