compile nwchem-6-3 with openmpi1.6.5 & ifort


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Hi Yuri,

The problem you are seeing is caused by the fact that the location of the MPI include files is not specified on the compile line for Parallel-mpi.F. I.e. there should have been a flag "-I/home/minenky/programs/openmpi_intel/include" but it is not there. This flag should have been added to LIB_DEFINES in the makefile src/nwpw/nwpwlib/Parallel/GNUmakefile. I wonder why that didn't happen. Anyway as a work around you could add it manually (even though that still feels unsatisfactory).

Huub