[gmx-users] reg speed of MD
jcb1 at um.es
Wed May 4 12:24:27 CEST 2011
Take a look to mdrun -nt flag to set the number of threads. Otherwise
the default is guessed according to the description displayed by mdrun
(what effectively means to take all available ones, I think).
There are several related entries in the mailing list. Keep in mind that
thread-based parallelization is suported just from 4.5.x.
El 04/05/11 11:54, vidhya sankar escribió:
> Dear gmx user
> when we run MD by mdrun tool in gromacs
> IS there is any option in command prompt to include and controll the
> number of processor ? otherwise will it automatically use all
> available processor?
> Because i am using pentum Intel i5 processor
> When i run MD will it take all processor for calculation steps of MD
> by default ?
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