| 11:50:53 AM PDT - Thu, Sep 1st 2016 |
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mpif90 -show
gfortran -I/usr/include/openmpi-x86_64 -pthread -m64 -I/usr/lib64/openmpi/lib -Wl,-rpath -Wl,/usr/lib64/openmpi/lib -Wl,--enable-new-dtags -L/usr/lib64/openmpi/lib -lmpi_usempi -lmpi_mpifh -lmpi
which mpif90
/usr/lib64/openmpi/bin/mpif90
echo $MPI_LIB
/usr/lib64/openmpi/lib
echo $MPI_INCLUDE
/usr/include/openmpi-x86_64
I did not have a LIBMPI set per the Centos7.1 install instructions not including it
http://nwchemgit.github.io/index.php/Compiling_NWChem#NWChem_6.6_on_Centos_7.1
I was able to get it compile once and it was running on Intel and AMD cores and in parallel. I patched every single one of the patches. However, when trying again to make sure I knew what I did, I wasn't able to repeat my success. I was getting this
http://nwchemgit.github.io/Special_AWCforum/st/id2013/compiling_conflict.html
I trying now with Marcin Dulak's compilation instructions for the EPEL nwchem for openmpi that come shipped with the EPEL nwchem_openmpi and not including EPEL in the compile.
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