Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6


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Hi DouDou,

May I ask what your link line looks like? The Make infrastructure should have generated a flag that tells the compiler where to find libraries. In your case that flag should read:

    -L/usr/local/lib

In the past we have also noticed that some compilers have problems figuring out which place to look in. This happens rarely but occasionally it does happen. So you might want to try

   setenv LIBMPI "/usr/local/lib/libmpi_f90.so /usr/local/lib/libmpi_f77.so <etc>"

And see if the linker finds the libraries then.

Please, let me know if this does not work.

Best wishes,

     Huub