Hi,
I am trying to compile NWChem 6.6 under CentOS 7. The ifort 15.0.2 is used with following set:
export NWCHEM_TOP=/opt/NWChem
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export LIBMPI="-L/opt/MPICH/lib -lmpich -lopa -lmpl -lrt -lpthread"
export MPI_LIB=/opt/MPICH/lib
export MPI_INCLUDE=/opt/MPICH/include
export MPI_LOC=/opt/MPICH
export NWCHEM_MODULES=all
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export BLASOPT="-L/opt/Intel/mkl/lib/intel64 -lmkl_lapack95_lp64 -lmkl_blas95_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
export USE_SCALAPACK=n
export BLAS_SIZE=4
export FC=mpif90
export F77=mpif77
export DEPEND_CC=mpicc
export CC=mpicc
export CXX=mpicxx
export USE_64TO32=y
export NOIO=TRUE
Then, running these commands:
make nwchem_config NWCHEM_MODULES=all
make 64_to_32
make
When reach to $NWCHEM_TOP/src/tce/ccsd_t directory, the error occured:
mpif90 -c -i8 -O3 -I. -I../include -I/opt/NWChem/src/include -I/opt/NWChem/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DDEBUG_PRINT ccsd_t_kernels_omp.F
/tmp/ifortt7SjK4.i: catastrophic error: **Internal compiler error: segmentation violation signal raised** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.
compilation aborted for ccsd_t_kernels_omp.F (code 1)
Would any person like to share with me some idea to solve this problem?
BTW, I have compiled a Windows 32-bit version for NWChem 6.6 with MPICH2, please let me know if you want to play with it.
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