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
--
========================================
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
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
