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All MPI programs of Amber installs on CHPC resources require use of modules.

Ember (CPU), Kingspeak

amber-ember

Intel compilers

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CUDA 6.0 (system default, /usr/local/cuda)
export CUDA_HOME=/usr/local/cuda
export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$LD_LIBRARY_PATH 

Kingspeak

amber-kingspeak

Intel compilers

MPI: module load mvapich2

Tangent

amber-tangent

Intel compilers

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