[gmx-users] reg speed of MD

Javier Cerezo 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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