Re: [gmx-users] GMX_THREAD_MPI=ON does not exis

2013-11-30 Thread Chandan Choudhury
On Sat, Nov 30, 2013 at 1:22 AM, Mahboobeh Eslami 
mahboobeh.esl...@yahoo.com wrote:

 Thank you for your help

 What command do I use to use 8 cores


mdrun -nt 8 -s *.tpr
or
mpirun -np 8 mdrun_mpi  -s *.tpr

Chandan


 Good luck

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Re: [gmx-users] GMX_THREAD_MPI=ON does not exis

2013-11-29 Thread Mahboobeh Eslami
Thank you for your help

What command do I use to use 8 cores

Good luck



On Friday, November 29, 2013 7:22 PM, Mahboobeh Eslami 
mahboobeh.esl...@yahoo.com wrote:
 
hi my friends, please help me

i use following command for install gromacs:

CMAKE_PREFIX_PATH=/usr/local/openmpi/:/home/elahe/ComTools/fftw/ cmake .. 
-DGMX_MPI=ON GMX_THREAD_MPI=ON -DBUILD_SHARED_LIBS=OFF 
-DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=ON 
-DCMAKE_INSTALL_PREFIX=/home/elahe/ComTools/gromacs
 but i get following error:

CMake Error: The source directory 
/home/elahe/.local/share/Trash/files/gromacs-4.2.6.3/build/GMX_THREAD_MPI=ON 
does not exist.
Specify --help for usage, or press the help button on the CMake GUI.
thanks
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