| 4:31:28 AM PST - Sun, Jan 25th 2015 |
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My script for compilation is as following :
- !/bin/bash
export NWCHEM_TARGET=LINUX64
export NWCHEM_TOP=/work/mmh568/software/nwchem
export ARMCI_NETWORK=OPENIB
export ARMCI_OPENIB_DEVICE=mlx4_0
export IB_HOME="/usr"
export IB_INCLUDE="$IB_HOME/include/infiniband"
export IB_LIB="$IB_HOME/lib64"
export IB_LIB_NAME="-libverbs -libumad -lpthread -lrt"
export ARMCI_DEFAULT_SHMMAX_UBOUND=65536
export USE_MPI=y
export NWCHEM_MODULES=all\ python
export USE_MPIF=y
export USE_MPIF4=y
export MPI_HOME=/usr/local/intel-2015/impi/5.0.1.035/intel64/
export MPI_INCLUDE="$MPI_HOME"/include
export MPI_LIB="$MPI_HOME"/lib
export LIBMPI="-lmpi -lmpigf -lmpigi -lrt -lpthread"
export MKLROOT=/usr/local/intel-2015/composer_xe_2015.0.090/mkl/
export SCALAPACK_LIB=" -mkl -openmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
export SCALAPACK="$SCALAPACK_LIB"
export LAPACK_LIB="-mkl -openmp -lpthread -lm"
export BLAS_LIB="$LAPACK_LIB"
export BLASOPT="$LAPACK_LIB"
export USE_SCALAPACK=y
export SCALAPACK_SIZE=8
export BLAS_SIZE=8
export LAPACK_SIZE=8
export PYTHONHOME=/usr
export PYTHONVERSION=2.6
export PYTHONLIBTYPE=so
export USE_PYTHON64=y
export USE_CPPRESERVE=y
export USE_NOFSCHECK=y
export USE_OPENMP=1
export USE_OFFLOAD=1
cd $NWCHEM_TOP/src
patch -p0 < Xlmpoles_ifort15.patch
make nwchem_config
make FC=ifort CC=icc AR=xiar |tee /work/mmh568/software/nwchem_buil.log
I ended up with the following error. Please anybody help me
ifort -i8 -align -qopt-report-file=stderr -qopenmp -qopt-report-phase=openmp -qopt-report-phase=offload -qoffload-option,mic,compiler,"-align array64byte" -align array64byte -qoffload-option,mic,compiler," -Wl,-zmuldefs" -watch=mic_cmd -fimf-arch-consistency=true -O2 -g -fp-model source -Wl,--export-dynamic -L/work/mmh568/software/nwchem-6.5/lib/LINUX64 -L/work/mmh568/software/nwchem-6.5/src/tools/install/lib -o /work/mmh568/software/nwchem-6.5/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lnwxc -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr/lib64/python2.6/config/libpython2.6.so -mkl -openmp -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lpthread -lm -mkl -openmp -lpthread -lm -L/usr/local/intel-2015/impi/5.0.1.035/intel64//lib -lmpi -lmpigf -lmpigi -lrt -lpthread -libverbs -loffload -lnwcutil -lpthread -lutil -ldl -lz
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /opt/mpss/3.1.4/sysroots/x86_64-mpsssdk-linux/usr/lib/k1om-mpss-linux/../libz.so.1)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /opt/mpss/3.1.4/sysroots/x86_64-mpsssdk-linux/usr/lib/k1om-mpss-linux/../libz.so.1)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /opt/mpss/3.1.4/sysroots/x86_64-mpsssdk-linux/usr/lib/k1om-mpss-linux/../libz.so.1)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar)
/usr/linux-k1om-4.7/linux-k1om/../bin/x86_64-k1om-linux-ar: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /opt/mpss/3.1.4/sysroots/x86_64-mpsssdk-linux/usr/lib/k1om-mpss-linux/../libz.so.1)
/work/mmh568/software/nwchem-6.5/lib/LINUX64/libnwcutil.a(util_mic_support.o): In function `offload_master_':
/work/mmh568/software/nwchem/src/util/util_mic_support.c:48: multiple definition of `offload_master_'
/work/mmh568/software/nwchem-6.5/lib/LINUX64/libnwcutil.a(util_getenv.o):/work/mmh568/software/nwchem/src/util/util_getenv.F:59: first defined here
make: *** [all] Error 1
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