| 12:22:07 AM PDT - Fri, Sep 26th 2014 |
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Issue again:
gfortran -m64 -ffast-math -fdefault-integer-8 -Warray-bounds -O2 -g -fno-aggressive-loop-optimizations -I. -I/opt/ZIP/nwchem-6.3_gnu//src/include -I/opt/ZIP/nwchem-6.3_gnu//src/tools/install/include -DGFORTRAN -DEXT_INT -DLINUX -DLINUX64 -DCHKUNDFLW -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/opt/ZIP/nwchem-6.3_gnu/'" -DNWCHEM_BRANCH="'6.3'" -c -o nwchem.o nwchem.F
gfortran -m64 -ffast-math -fdefault-integer-8 -Warray-bounds -O2 -g -fno-aggressive-loop-optimizations -I. -I/opt/ZIP/nwchem-6.3_gnu//src/include -I/opt/ZIP/nwchem-6.3_gnu//src/tools/install/include -DGFORTRAN -DEXT_INT -DLINUX -DLINUX64 -DCHKUNDFLW -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/opt/ZIP/nwchem-6.3_gnu/'" -DNWCHEM_BRANCH="'6.3'" -c -o stubs.o stubs.F
gfortran -Wl,--export-dynamic -L/opt/ZIP/nwchem-6.3_gnu//lib/LINUX64 -L/opt/ZIP/nwchem-6.3_gnu//src/tools/install/lib -o /opt/ZIP/nwchem-6.3_gnu//bin/LINUX64/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 -lnwxc -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr//lib64/python2.6/config/libpython2.6.so -l64to32 -llapack -lblas -L/app1/centos6.3/gnu/mvapich2-1.9/lib -lmpichf90 -Wl,-rpath -Wl,/app1/centos6.3/gnu/mvapich2-1.9/lib -lmpich -lopa -lmpl -libmad -lrdmacm -libumad -libverbs -ldl -lrt -lm -lpthread -lnwcutil -lpthread -lutil -ldl
/opt/ZIP/nwchem-6.3_gnu//lib/LINUX64/libnwints.a(int_1edk_ga.o): In function `int_1edk_ga_':
int_1edk_ga.F:(.text+0x257): undefined reference to `ga_cholesky_'
int_1edk_ga.F:(.text+0x270): undefined reference to `ga_llt_i_'
int_1edk_ga.F:(.text+0x289): undefined reference to `ga_cholesky_'
int_1edk_ga.F:(.text+0x341): undefined reference to `ga_pdsyev_'
/opt/ZIP/nwchem-6.3_gnu//lib/LINUX64/libnwints.a(int_1edkso_ga.o): In function `int_1edk_so_ga_':
int_1edkso_ga.F:(.text+0x1fc): undefined reference to `ga_cholesky_'
int_1edkso_ga.F:(.text+0x21e): undefined reference to `ga_llt_i_'
int_1edkso_ga.F:(.text+0x240): undefined reference to `ga_cholesky_'
int_1edkso_ga.F:(.text+0x301): undefined reference to `ga_pdsyev_'
collect2: error: ld returned 1 exit status
make: *** [link] Error 1
This is the code I used:
unset USE_SCALAPACK
unset SCALAPACK
unset SCALAPACK_LIBS
cd $NWCHEM_TOP/src/tools
rm -rf build install
make
cd ..
cd $NWCHEM_TOP/src/NWints/dk
touch `egrep -l SCALA *F`
cd ../../nwdft
make
touch `egrep -l SCALA */*F`
make
cd ../ddscf
touch `egrep -l SCALA *F`
make
cd ../util
touch `egrep -l SCALA *F`
make
cd ../mp2_grad
touch `egrep -l SCALA *F`
make
cd ..
make link
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