| 6:47:23 AM PDT - Thu, Jul 10th 2014 |
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Hi everyone....I am installing nwchem version 6.1.1 on my linux 32-bit ..I am giving all the required enviorment ..but still getting error ...please guide me ...enviorment settings are below....
Please guide me where I am wrong...
export NWCHEM_TOP=/home/itlab/nwchem/nwchem-src
export NWCHEM_TARGET=LINUX
export ARMCI_NETWORK=MPI_TS
export NWCHEM_MODULES=all python
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr/lib/mpich2/
export MPI_INCLUDE=/usr/lib/mpich2/include/
export MPI_LIB=/usr/lin/mpich2/lib/
export LIBMPI="-lmpichf90 -lmpichf90 -lmpich -lopa -lmpl -lrt -lcr -lpthread "
export LARG_FILES=TRUE
export USE_NOFSCHECK=TRUE
export MRCC_THEORY=TRUE
export PYTHONHOME=/usr/local/lib/python2.7/
export USE_PYTHON=y
export PYTHONVERSION=2.7
export BLASOPT=“-L/home/itlab/Documents/scalapack/scalapack-2.0.2/-libscalapack.a”
error is...
gfortran -Wextra -ffast-math -march=pentium4 -mtune=pentium4 -Xlinker --export-dynamic -L/home/itlab/Documents/nwchem/nwchem-6.1.1-src//lib/LINUX -L/home/itlab/Documents/nwchem/nwchem-6.1.1-src//src/tools/install/lib -o /home/itlab/Documents/nwchem/nwchem-6.1.1-src//bin/LINUX/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack “-L/home/itlab/Documents/scalapack/scalapack-2.0.2/-libscalapack.a” -lblas “-L/home/itlab/Documents/scalapack/scalapack-2.0.2/-libscalapack.a” -llapack -lblas -L/usr/lin/mpich2/lib/ -lmpichf90 -lmpichf90 -lmpich -lopa -lmpl -lrt -lcr -lpthread -lm
gfortran: error: “-L/home/itlab/Documents/scalapack/scalapack-2.0.2/-libscalapack.a”: No such file or directory
gfortran: error: “-L/home/itlab/Documents/scalapack/scalapack-2.0.2/-libscalapack.a”: No such file or directory
make: *** [all] Error 1
Thanks and Regards
Lovika
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