[gmx-users] _gpu_id failed

[Justin Lemkul]

On 4/26/13 3:37 PM, Albert wrote:
> Hello:
>
>   I am going to run gromacs with command:
>
> mpirun -np 4 mdrun_mpi -s em.tpr -c em.gro -v -g em.log -gpu_id #0, #2, #3, #4
>
>
> but it failed with messages:
>
> Program mdrun_mpi, VERSION 4.6.1
> Source code file:
> /home/albert/install/source/gromacs-4.6.1/src/gmxlib/statutil.c, line: 364
>
> Fatal error:
> Expected a string argument for option -gpu_id
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>

The -gpu_id option needs a continuous string of identifiers (see examples on 
http://www.gromacs.org/Documentation/Acceleration_and_parallelization). 
Anything separated by a space is interpreted as a new command-line argument.

What you want is -gpu_id 0234

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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