| 10:46:33 AM PDT - Sun, Mar 8th 2015 |
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Hi,
I am trying to install NWCHEM 6.5 on ubuntu 14.04 using the build_nwchem script and the following variables :
export NWCHEM_TOP=/home/guillaume/nwchem-6.5
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES="all"
export NWCHEM_MPIF_WRAP=/usr/bin/mpif90
export NWCHEM_MPIC_WRAP=/usr/bin/mpicc
export NWCHEM_MPICXX_WRAP=/usr/bin/mpicxx
export NWCHEM_LONG_PATHS=Y
export USE_NOFSCHECK=Y
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_INCLUDE="-I/usr/lib/openmpi/include -I/usr/lib/openmpi/lib"
export MPI_LIB="-L/usr//lib -L/usr/lib/openmpi/lib"
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -lhwloc"
export FC=gfortran
export CC=gcc
export CXX=g++
export ARMCI_NETWORK=
export MSG_COMMS=MPI
export PYTHON_EXE=/usr/bin/python2.7
export PYTHONVERSION=2.7
export PYTHONHOME=/usr
export PYTHONLIBTYPE=a
but I have some issue with the python libraries so I apply a patch with this setup :
1) cd $NWCHEM_TOP/src
2) wget http://nwchemgit.github.io/images/Pythonconfigdir.patch.gz
3) gzip -d Pythonconfigdir.patch.gz
4) patch -p0 < Pythonconfigdir.patch
5) export PYTHONCONFIGDIR=config-x86_64-linux-gnu
I compile the code with :
make FC=$FC ; pushd $NWCHEM_TOP/src ; make FC=$FC link ; popd
and the patch resolve the problem from the python lib.
However, I obtain this message :
/usr/bin/ld: cannot find -ldangchang
/usr/bin/ld: cannot find -lnwmd
/usr/bin/ld: cannot find -lcafe
/usr/bin/ld: cannot find -lspace
/usr/bin/ld: cannot find -lanalyze
/usr/bin/ld: cannot find -lnwpython
/usr/bin/ld: cannot find -ldrdy
/usr/bin/ld: cannot find -lvscf
/usr/bin/ld: cannot find -lqmmm
/usr/bin/ld: cannot find -lqmd
/usr/bin/ld: cannot find -letrans
/usr/bin/ld: cannot find -ltce
/usr/bin/ld: cannot find -ldntmc
/usr/bin/ld: cannot find -lccca
collect2: error: ld returned 1 exit status
make: *** [link] Error 1
Can you help me please?
Thank you,
Guillaume
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