| 8:04:32 AM PST - Wed, Jan 18th 2017 |
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I tried starting over by completely removing the nwchem-6.6 directory, untarring the nwchem tar file and recompiling just to see if I would get the same error message. Instead I get another error message shown in the following:
ifort -i8 -align -fpp -qopt-report-file=stderr -qopenmp -qopt-report-phase=openmp -qno-openmp-offload -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -I. -I/work/zacharyw/recompile_nwchem6_6/nwchem-6.6/src/include -I/work/zacharyw/recompile_nwchem6_6/nwchem-6.6/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DUSE_OPENMP -DIFCV8 -DIFCLINUX -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/work/zacharyw/recompile_nwchem6_6/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
make[1]: Leaving directory `/work/zacharyw/recompile_nwchem6_6/nwchem-6.6/src'
ifort -i8 -align -fpp -qopt-report-file=stderr -qopenmp -qopt-report-phase=openmp -qno-openmp-offload -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -Wl,--export-dynamic -L/work/zacharyw/recompile_nwchem6_6/nwchem-6.6/lib/LINUX64 -L/work/zacharyw/recompile_nwchem6_6/nwchem-6.6/src/tools/install/lib -o /work/zacharyw/recompile_nwchem6_6/nwchem-6.6/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 -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -mkl -qopenmp -lnwclapack -lnwcblas -L/usr/local/intel-2015.2//impi/5.0.3.048/intel64/lib/release_mt -L/usr/local/intel-2015.2//impi/5.0.3.048/intel64/lib -lmpifort -lmpi -lmpigi -ldl -lrt -lpthread -lnwcutil -lpthread -ldl -lutil -lm -lpython2.7 -lpthread -ldl -lutil -lm -lpython2.7 -Xlinker -export-dynamic
ld: cannot find -lpython2.7
make: *** [all] Error 1
I notice that this linker file 'L/usr/local/intel-2015.2//impi/5.0.3.048/intel64/lib' shows up in both error messages. I assume there is an issue here, and I feel like perhaps python is an issue? There is a similar path '/usr/local/intel-2017/impi/2017.0.098/intel64/lib' that exists. My question is: how do I know which path to include in my setup script? It seems like the HPC I am attempting to compile this in puts me in this predicament a lot--- another example is that python2.7 and python3.4 are in my /usr/local path, but only python2.6 exists in my /usr/bin path. How do I know what are the correct versions of mpi and python to reference in my setup script?
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