| 9:55:17 AM PDT - Thu, Sep 18th 2014 |
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Hello, I am trying to build NWChem with Intel 14.0 and OpenMPI 1.6.5 with the following configuration:
cd Nwchem-6.5.revision26243-src.2014-09-10
export NWCHEM_TOP=`pwd`
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
module load openmpi/1.6.5/intel
module load intel/14.0
export USE_MPI=y
export USE_MPIF=y
export MPI_LIB=/opt/openmpi/1.6.5/intel/13.1/lib
export MPI_INCLUDE=/opt/openmpi/1.6.5/intel/13.1/include
export LIBMPI="-L$MPI_LIB -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -lnuma -lrt -lnsl -lutil -pthread"
export FC=ifort
export CC=icc
export ARMCI_NETWORK=OPENIB
export IB_HOME=/usr
export IB_INCLUDE=/usr/include/infiniband/
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libumad -libverbs -lpthread"
export MKLROOT=/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64
export BLASOPT="-Wl,--start-group $MKLROOT/libmkl_intel_lp64.a $MKLROOT/libmkl_sequential.a $MKLROOT/libmkl_core.a -Wl,--end-group -lpthread -lm"
However, I keep getting this error which I am unable to debug because I don't know what command is being executed:
Parallel-mpi.F(124): (col. 7) remark: LOOP WAS VECTORIZED
compilation aborted for Parallel-mpi.F (code 1)
make[4]: *** [/data/home/eew918/Nwchem-6.5.revision26243-src.2014-09-10/lib/LINUX64/libnwpwlib.a(Parallel-mpi.o)] Error 1
make[3]: *** [optimized] Error 2
make[2]: *** [subdirs] Error 1
make[1]: *** [subdirs] Error 1
make: *** [libraries] Error 1
Any help will be greatly appreciated.
Thanks in advance,
Wadud.
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