Hello,
I using gromacs 5 and want to choose how many processors to use in a simulation. For choosing GPUs I have read the mdrun function page which is easy to do it, but for cpu I haven't found how to do it.
regards
-nt (numero de procesadores)
Hi Quezada,
Hope this command could help
mpirun -np X (X- number of processor)
how to check this used no of processor in the output (gromacs)
You can select the number of threads using the following command
gmx mdrun -nt 12
#12 being the number of threads
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