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  • All MPI programs of Amber installs on CHPC resources require use of modules (default mvapich2, lonepeak impi).
  • All python programs now require the python/2.7.3 module.
  • The default minimum CUDA for Amber is now 7.5: /usr/local/cuda-7.5 (kepler is the current exception)

Ember (CPUIntel)

amber-ember

Intel compilers

MPI: module load mvapich2

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CUDA 7.5
export CUDA_HOME=/usr/local/cuda-7.5
export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$LD_LIBRARY_PATH  

Ember (Gnu)

amber-ember-gpu

GNU compilers

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