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CUDA 5.0: /usr/local/cuda-5.0

No MPI

Lonepeak

amber-lonepeak

Intel compilers

MPI:  /uufs/chpc.utah.edu/sys/installdir/openmpi/std_intel/etc/openmpi.shmodule load impi

Use 'mpirun', not 'mpiexec'

Bash Tricks

To ensure I'm always running the correct amber install on CHPC resources I add this line to my ~/.bashrc file:

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