nwchem 6.8 for Intel Phi 7120P (KNC) compile log -- Must use Intel Compiler 2017.4.196

q183 Phi: CentOS 6.6 (Final)
Intel Compiler Version 18.0.1.163 Build 20171018
Python v2.6.6
(see also http://www.nwchem-sw.org/index.php/Compiling_NWChem)

. /opt/intel/compilers_and_libraries_2018.1.163/linux/bin/compilervars.sh intel64
echo $MKLROOT

/opt/intel/compilers_and_libraries_2018.1.163/linux/mkl

cd /phi
tar jxf /f01/source/chem/nwchem/nwchem-6.8-release.revision-v6.8-47-gdf6c956-srconly.2017-12-14.tar.bz2
cd nwchem-6.8/src

# apply patches

# Compilation setup for Phi
export NWCHEM_TOP=/phi/nwchem-6.8
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export NWCHEM_TARGET=LINUX64
export USE_PYTHONCONFIG=y
export PYTHONHOME=/usr
export PYTHONVERSION=2.6
export FC=ifort
export CC=icc
export CXX=icpc

export USE_OPENMP=1
export USE_OFFLOAD=1

export BLASOPT="-mkl -qopenmp   -lpthread -lm"
export USE_SCALAPACK=y
export SCALAPACK="-mkl -qopenmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"

export NWCHEM_MODULES="all python"

export MRCC_METHODS=TRUE

### compilation error @libtce.a(ccsd_t.o): Intel Compiler 18 does not support KNC offload

### Trying Intel Compiler 17.0.4.196 Build 20170411

. /opt/intel/compilers_and_libraries_2017.4.196/linux/bin/compilervars.sh intel64

echo $MKLROOT

/opt/intel/compilers_and_libraries_2017.4.196/linux/mkl

cd /phi/jsyu/git

git clone https://github.com/nwchemgit/nwchem.git

Initialized empty Git repository in /phi/jsyu/git/nwchem/.git/
remote: Counting objects: 238809, done.
remote: Compressing objects: 100% (63/63), done.
remote: Total 238809 (delta 45), reused 44 (delta 23), pack-reused 238723
Receiving objects: 100% (238809/238809), 280.07 MiB | 13.34 MiB/s, done.
Resolving deltas: 100% (191961/191961), done.

cd nwchem/src 

# this is nwchem-6.8.1

# Compilation setup for Phi

export NWCHEM_TOP=/phi/jsyu/git/nwchem

export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export NWCHEM_TARGET=LINUX64
export USE_PYTHONCONFIG=y
export PYTHONHOME=/usr
export PYTHONVERSION=2.6
export FC=ifort
export CC=icc
export CXX=icpc

export USE_OPENMP=1
export USE_OFFLOAD=1

export BLASOPT="-mkl -qopenmp   -lpthread -lm"
export USE_SCALAPACK=y
export SCALAPACK="-mkl -qopenmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"

export NWCHEM_MODULES="all python"

export MRCC_METHODS=TRUE

make nwchem_config >& nwchem_config.log &
make -j 20 >& make.log &