Hi Edoapra
I did
export NWCHEM_TOP=~/Softwares/nwchem-6.6
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export USE_INTERNALBLAS=y
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/opt/software/openmpi/1.4.3-gcc/
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export BLASOPT="-Wl,--start-group \
$MKLROOT/lib/intel64/libmkl_intel_ilp64.a \
$MKLROOT/lib/intel64/libmkl_core.a \
$MKLROOT/lib/intel64/libmkl_sequential.a \
-Wl,--end-group -lpthread -lm"
export BLAS_SIZE=8
cd $NWCHEM_TOP/src/tools
rm -rf build install
make FC=ifort
I got
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-4/comex/configure failed for comex
make: *** [build/config.status] Error 1
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