Quote:Edoapra Dec 17th 12:44 pmThis log does not look good at all.
It is the result of wrong MPI_ settings.
Could you please unset MPI_INCLUDE, LIBMPI, MPI_LIB (as suggested yesterday)
I thought I did.... Silly question, but is there a specific order for the unset command? Here is what I am doing:
Environment
export NWCHEM_TOP=/home/franksus/Desktop/nwchem/nwchem-6.6/
export USE_MPI=y
export NWCHEM_TARGET=LINUX64
export USE_PYTHONCONFIG=y
export PYTHONVERSION=2.7
export PYTHONHOME=/usr
export USE_64TO32=y
export BLAS_SIZE=4
export BLASOPT="-lopenblas -lpthread -lrt"
export PATH=/usr/lib64/mpi/gcc/openmpi/bin:$PATH
export LD_LIBRARY_PATH=/usr/lib64/mpi/gcc/openmpi/lib64:$LD_LIBRARY_PATH
export PATH=/usr/lib64/openmpi/bin/:$PATH
unset MPI_INCLUDE
unset MPI_LIB
unset LIBMPI
make
cd %NWCHEM_TOP/src
make nwchem_config NWCHEM_MODULES="all python"
make 64_to_32
make
I appreciate your patience with me. Recompiling again..
Ninaj edit: Forgot to add cd
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