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Compiling-NWChem.html
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<!doctype html>
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Compiling NWChem from source
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Setting up the proper environment variables
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MPI variables
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Automatic detection of MPI variables with mpif90
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Adding optional environmental variables
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Setting Python environment variables
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Optimized math libraries
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How to deal with integer size of Linear Algebra libraries
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Automated build of OpenBLAS/SCaLAPACK
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Linking in NBO
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Building the NWChem binary
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Setting the default memory values
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NWChem 6.8 on Centos 7.1/Fedora 27
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Method #1: using gfortran and openmpi from brew
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Method #2: ARMCI_NETWORK=MPI-PR
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Method #1: ARMCI_NETWORK=MPI-PR
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How-to: Commodity clusters with Infiniband
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