From NWChem
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| 5:51:34 AM PDT - Mon, May 27th 2013 |
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I have mpich2 installed under /home/ivo/mpich2-install.
Then I have the following environmental variables in place:
setenv NWCHEM_TOP /home/ivo/nwchem-6.3-src.2013-05-17
setenv NWCHEM_TARGET CYGWIN
setenv NWCHEM_MODULES all
setenv FC gfortran
setenv USE_MPI y
setenv LIBMPI "-lpmpich -lmpich -lopa -lmpl -lpthread -lmpichf90"
setenv MPI_LIB /home/ivo/mpich2-install/lib
setenv MPI_INCLUDE /home/ivo/mpich2-install/include
Then from /home/ivo/nwchem-6.3-src.2013-05-17/src I do:
make nwchem_config
make >& make.log
That at least works for me.
There are still some issues with some of the QA tests though. Will post them when they are done.
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