From NWChem
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Gets Around
Threads 17
Posts 73
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| 12:53:28 AM PDT - Fri, Aug 24th 2012 |
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The following fails linking blas for me, are the steps in the right order?:
export NWCHEM_TOP=/.../nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX64
export CC=gcc
export FC=gfortran
export LD_LIBRARY_PATH=/usr/lib64/openmpi/1.4-gcc/lib
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPIEXEC=/usr/lib64/openmpi/1.4-gcc/bin/mpiexec
export MPI_LIB=/usr/lib64/openmpi/1.4-gcc/lib
export MPI_INCLUDE=/usr/lib64/openmpi/1.4-gcc/include
export LIBMPI='-L/usr/lib64/openmpi/1.4-gcc/lib -lmpi -lmpi_f90 -lmpi_f77'
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export TCGRSH=ssh
export PYTHONHOME=/usr
export PYTHONVERSION=2.4
export PYTHONLIBTYPE=a
export USE_PYTHON64=y
export HAS_BLAS=yes
export BLASOPT="-L/usr/lib64 -lblas -llapack"
make nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee make_nwchem_config.log
make 64_to_32 2>&1 | tee make_64_to_32.log
make USE_64TO32=y 2>&1 | tee make.log
cd $NWCHEM_TOP/src/tools
make FC=gfortran GA_DIR=ga-4-3 OLD_GA=y clean 2>&1 | tee ../make_ga_clean.log
make FC=gfortran GA_DIR=ga-4-3 OLD_GA=y 2>&1 | tee ../make_ga.log
cd ..
make FC=gfortran link 2>&1 | tee make_link.log
with:
/.../nwchem-6.1.1-src/src/task/task_bsse.F:1778: undefined reference to `ycopy_'
Please fix the problems with posting to the forum: im wasting about 5 min per post trying
to figure out, line-by-line, which characters are are allowed and which are not.
This time i figured out that single quote is not allowed in im.
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