CHARMM

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Building CHARMM

CHARMM uses the install.com script to configure compilation. By setting some environment variables you can control its behavior. For example to build with TAU on Ranger: 

MPI_F90=ifort MPI_INCLUDE=/opt/apps/intel10_1/mvapich/1.0.1/include MPI_LIB=/opt/apps/intel10_1/mvapich/1.0.1/lib ./install.com em64t xlarge NOLOG M
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