Okay... i made it work. The problem was the ga library. Unfortunately there was a pre-installed ga library which obviously did not fit the nwchem compilation. Moreover the linker got "-L/home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src/src/tools/install/lib64 -lga ?, that did not exist. But having a ga library installed i did not recognize the following which occurrs without that library.
gfortran -L/home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src//lib/LINUX64 -L/home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src//src/tools/install/lib -o /home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src//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 -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 -lblas -L/opt/mpich/ch-p4/lib64/ -lmpich -lpthread -lrt
/usr/lib64/gcc/x86_64-suse-linux/4.6/../../../../x86_64-suse-linux/bin/ld: cannot find -lga
collect2: ld returned 1 exit status
The following workaround helped :
1. I uninstalled the pre-installed ga library
2. i compiled the whole package up to the point where the linker did not find -lga
3. i copied
/home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src/src/tools/install/lib64
to
/home/kuleszaa/PROGRAMS/NWCHEM6.1.1/nwchem-6.1.1-src/src/tools/install/lib
4. make clean
5. make >& make.log &
et voila
I guess there is a much more elegant way .. but im quite happy now. Thanks again for help.
Best regards
Alex
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