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NWChem FAQ

Windows 32


How do I compile NWChem on Windows NT and Windows 98?

The right target is WIN32. Before starting the compilation, you must have installed the Compaq Visual Fortran compiler (version 6.0 and 6.1 have been successfully tested) and the NT.MPICH library (http://www-unix.mcs.anl.gov/~ashton/mpich.nt/ ). Then, you need to have defined this series of variables (that you can set in autoexec.bat)

set NWCHEM_TOP=c:\nwchem
set NWCHEM_TARGET=WIN32
set MPI_INCLUDE=c:\PROGRA~1\ARGONN~1\MPICHN~1.4\SDK\INCLUDE
set MPI_LIB=c:\PROGRA~1\ARGONN~1\MPICHN~1.4\SDK\lib
set NWCHEM_EXTRA_LIBS=%MPI_LIB%\mpich.lib
To start the compilation, start the Microsoft makefile utility from the top level source directory by typing
nmake
The name of the executable is nw32.exe


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Updated: February 22, 2005