Compiling NWChem on Cygwin

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Gets Around

6:35:37 AM PDT - Tue, May 21st 2013
Thank you for the reply. Another couple of questions. Does this mean that I will not be able to use NWChem without MPI on the one core? In particular, should be MPI installed on each machine that uses NWChem binary? I installed mpich2. However, it seems to me that Cygwin can see only its own folders, and I do not understand how to setup MPI paths. Quote:Edoapra May 20th 9:32 am P99 A prerequisite for a NWChem 6.3 build is to have MPI installed. An easy way to install MPI on Windows (that should be compatible with Cygwin) is to grab the Mpich installer at http://www.mpich.org/static/tarballs/1.4.1p1/mpich2-1.4.1p1-win-ia32.msi Once you have installed mpich2, please set MPI_INCLUDE, MPI_LIB and LIBMPI according to you installation setup.