| 9:21:57 AM PST - Mon, Dec 23rd 2019 |
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Hi all,
I seem to be unable to set USE_OFFLOAD=y in my build script. When I add export USE_OFFLOAD=y to a script that previously compiled (below) I get the following error message:
config/makefile.h:1944: *** missing separator (did you mean TAB instead of 8 spaces?). Stop.
--script--
- !/bin/bash -l
module purge
module load hpc_defaults/0.1
module load intel/2019
export NWCHEM_TOP=/home/epj/nwchem-6.8.1-release
export NWCHEM_TARGET=LINUX64
export NWCHEM_LONG_PATHS=y
export NWCHEM_MODULES="all python"
export USE_NOFSCHECK=y
export LARGE_FILES=y
export I_MPI_OFI_LIBRARY_INTERNAL=1
export FI_PROVIDER=verbs
export I_MPI_FABRICS=shm:ofi
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 USE_PYTHONCONFIG=y
export PYTHONHOME=/usr
export PYTHONVERSION=2.7
export PYTHONLIBTYPE=so
export USE_PYTHON64=y
export TCGRSH=/usr/bin/ssh
export USE_F90_ALLOCATABLE=y
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export LIBMPI="-lmpifort -lmpi_ilp64 -lmpi -ldl -lrt -lpthread"
export USE_OPENMP=y
export USE_OFFLOAD=y
export HAS_BLAS=y
export BLAS_SIZE=4
export BLASOPT="-L$MKLROOT/lib/intel64 -lmkl_rt -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_def -lmkl_blacs_intelmpi_lp64 -lmkl_lapack95_lp64 -liomp5 -lpthread -ldl -lm"
export LAPACK_SIZE=4
export LAPACK_LIB="$BLASOPT"
export LAPACK_LIBS="$BLASOPT"
export LAPACKOPT="$BLASOPT"
export USE_SCALAPACK=y
export SCALAPACK_SIZE=4
export SCALAPACK="-L$MKLROOT/lib/intel64 -lmkl_rt -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_def -lmkl_blacs_intelmpi_lp64 -lmkl_lapack95_lp64 -liomp5 -lmkl_scalapack_lp64 -lpthread -ldl -lm"
export SCALAPACK_LIB="$SCALAPACK"
export SCALAPACK_LIBS="$SCALAPACK"
export USE_64TO32=y
export CC=icc
export FC=ifort
cd $NWCHEM_TOP/src
make realclean
make nwchem_config >& make_config1zg.log
make 64_to_32 >& make_64_1zg.log
make >& make1zg.log
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