[gmx-users] Gromacs 4.5.5 GPU Error

TH Chew teonghan at gmail.com
Mon Mar 12 08:47:55 CET 2012

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?

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