howto:gpu_gromacs
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Gromacs
This page describes how to use Gromacs 4.6.5 on the GPU nodes of sun.chpc.ac.za.
Basic Usage
To use Gromacs add the following lines to your PBS job script:
source /etc/profile.d/modules.sh module add /opt/gridware/applications/gpu/modules/gromacs/4.6.5
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