| 7:53:21 AM PDT - Tue, Mar 29th 2016 |
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I am trying to compile NWChem-6.6 on a new installation of CentOS-7.1. I am following the compiling instructions here:
http://nwchemgit.github.io/index.php/Compiling_NWChem#NWChem_6.6_on_Centos_7.1
but I get an error like this:
gfortran -Wl,--export-dynamic -L/home/rasmus/nwchem-6.6//lib/LINUX64 -L/home/rasmus/nwchem-6.6//src/tools/install/lib -o /home/rasmus/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 -I/usr/lib64/gfortran/modules/openmpi -L/usr/lib64/openmpi/lib -lelpa -L/usr/lib64/openmpi/lib -lscalapack -lmpiblacs -l64to32 -lopenblas -lpthread -lrt -lnwclapack -lnwcblas -L/usr/lib64/openmpi/lib -lmpi_usempi -lmpi_mpifh -lmpi -lrt -lm -lpthread -lnwcutil -lpthread -ldl -lutil -lm -lpython2.7 -lpthread -ldl -lutil -lm -lpython2.7 -Xlinker -export-dynamic
/usr/bin/ld: warning: libmpi.so.1, needed by /usr/lib64/openmpi/lib/libelpa.so, may conflict with libmpi.so.12
How can I get rid of this conflict?
best regards,
Rasmus
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