Compiling NWChem on Cygwin


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Gets Around
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.