Hi all, I am trying to get the GPU version of gromacs running. I manage to install OpenMM, compile and install mdrun-gpu. However when I ran mdrun-gpu on any of the benchmark files, I got this:
./run.sh: line 2: 14224 Floating point exception/usr/local/gromacs-4.5.5-cuda/bin/mdrun-gpu -v Any idea what goes wrong here? -- Regards, THChew
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