| 12:41:28 PM PST - Mon, Jan 18th 2016 |
|
Hello,
I have been following posts and trying resolutions to my compilation problems but with still no joy.
Specifically:
Environment
export NWCHEM_TARGET=x86_64
export NWCHEM_MODULES=all
export USE_MPI=Y
export USE_MPIF=Y
export USE_MPIF4=Y
export MPI_LOC="/opt/openmpi/1.8.4-intel15.0-noib"
export MPI_INCLUDE="/opt/openmpi/1.8.4-intel15.0-noib/include"
export MPI_LIB="/opt/openmpi/1.8.4-intel15.0-noib/lib"
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil -lm -ldl"
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export HAS_BLAS=yes
export USE_SCALAPACK=y
export MKLLIB=/opt/intel/compilers_and_libraries_2016.1.150/linux/mkl/lib/intel64
export MKLINC=/opt/intel/compilers_and_libraries_2016.1.150/linux/mkl/include
export BLASOPT="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export LAPACK_LIBS="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export SCALAPACK="-L$MKLLIB -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
export SCALAPACK_SIZE=8
export BLAS_SIZE=8
export FC=ifort
export CC=icc
With the following result:
everything good until . . .
configure: searching for MPI_TS...
checking mpi.h usability... yes
checking mpi.h presence... yes
checking for mpi.h... yes
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-4/comex/configure failed for comex
make: *** [build/config.status] Error 1
Thank you for any help.
|
|
|