| 4:47:50 PM PDT - Wed, Apr 17th 2013 |
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Quote:Edoapra Apr 15th 11:31 amMIckey
Could you please post the complete error message you got.
What is the compilation command you have used?
Could you please post the env. variable settings used, too?
Thanks, Edo
Dear Edo,
The mesage was :
library name resolved from: compiled reference
NWCHEM_NWPW_LIBRARY set to: </home/michi/Downloads/nwchem-6.1.1-src/src/nwpw/libraryps/>
Generating 1d pseudopotential for C
At line 649 of file psp_generator_input.F (unit = 99, file = './scratch/junk.inp')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE
and my installation followed nwchem standard rules:
export NWCHEM_TOP=/home/michi/Downloads/nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX
export FC=gfortran
export CC=gcc
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export LIBMPI="-lmpich -lopa -lmpl -lrt -lpthread"
export MPI_LIB=/usr/lib/mpich2/lib
export MPI_INCLUDE=/usr/lib/mpich2/include
export NWCHEM_MODULES=all
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export LIB_DEFINES=-DDFLT_TOT_MEM=16777216
cd $NWCHEM_TOP/src
make nwchem_config
make >& make.log
Best regards,
Mickey
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