[gmx-users] gromacs installation

[vijayakumar gosu]

Hi,

I have installed gromacs 5.1 in server which has 4 nodes each with 40 cpus.
I am allotted to use only 2 nodes with 80 cpus. after installation when i
did sample md run only 20 cpus are being utilized. How can I fully utilize
the all 80 CPUs for mdrun.

I have used below cmake command for the installation

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF
-DREGRESSIONTEST_PATH=/BiO/BioTools/regressiontests-5.1.1 -DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
-DCMAKE_INSTALL_PREFIX=/Bio/BioTools/gromacs

I have not seen any errors during installation.

Thanks.