| 12:39:25 AM PDT - Wed, Jul 30th 2014 |
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comppilation error with PYTHON
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hello, during compilation of code, using this enveromental variables
export NWCHEM_TOP=/home/dongbo/Nwchem-6.3.revision25564-src.2014-05-03
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=MPI-TS
export MSG_COMMS=MPI
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export LIB_DEFINES="-DDFLT_TOT_MEM=16777216"
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/opt/Chem_soft/openmpi-1.6.4
export MPI_INCLUDE=$MPI_LOC/include
export MPI_LIB=$MPI_LOC/lib
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export NWCHEM_MPIF_WRAP=/opt/Chem_soft/openmpi-1.6.4/bin/mpif90
export NWCHEM_MPIC_WRAP=/opt/Chem_soft/openmpi-1.6.4/bin/mpicc
export NWCHEM_MPICXX_WRAP=/opt/Chem_soft/openmpi-1.6.4/bin/mpicxx
export FC=ifort
export CC=icc
export CXX=icpc
export BLASOPT="-L/usr/lib64/atlas -lf77blas -latlas"
export PYTHONHOME=/usr/bin/python
export PYTHONVERSION=2.6
export USE_PYTHON64=yes
export NWCHEM_MODULES="all python"
export MRCC_THEORY=TRUE
I encountered errors listed as follows:
task_python.c(7): catastrophic error: cannot open source file "Python.h"
#include <Python.h> ^
compilation aborted for task_python.c (code 4)
make[1]: *** [/home/dongbo/Nwchem-dev.revision25890-src.2014-07-18/lib/LINUX64/libnwpython.a(task_python.o)] Error 4
make[1]: *** Waiting for unfinished jobs....
nwchem_wrap.c(13): catastrophic error: cannot open source file "Python.h"
#include <Python.h>
^
compilation aborted for nwchem_wrap.c (code 4)
make[1]: *** [/home/dongbo/Nwchem-dev.revision25890-src.2014-07-18/lib/LINUX64/libnwpython.a(nwchem_wrap.o)] Error 4
make: *** [libraries] Error 1
Can anyone give some help to tackle these?
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