| 8:21:04 AM PDT - Fri, Aug 29th 2014 |
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Hi,
I'm trying to install NWChem 6.3 and I'm getting undefined reference error.
Some how i'm not able to paste the entire error message, however, what ever the possible message that I can include, I pasted below. Hope some one can help me resolve the issue
gfortran -Wl,--export-dynamic -L/opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/lib/LINUX64 -L/opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/src/tools/install/lib -o /opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/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 -L/app1/centos6.3/gnu/SCIlibs/lib -lblas -latlas -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.revision2-src.2013-10-17/lib/LINUX64/libdriver.a(lbfgs-b.o): In function `mainlb_':
lbfgs-b.F:(.text+0x94cb): undefined reference to `dlamch_'
/opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/lib/LINUX64/libnwdft.a(zmat_diag.o): In function `zmat_diag_serial_':
zmat_diag.F:(.text+0xf7c): undefined reference to `zheev_'
zmat_diag.F:(.text+0x11c8): undefined reference to `zgeev_'
/opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/lib/LINUX64/libnwdft.a(zmat_inv.o): In function `zmat_inv_serial_':
zmat_inv.F:(.text+0x30c): undefined reference to `zgetrf_'
zmat_inv.F:(.text+0x39d): undefined reference to `zgetrs_'
/opt/ZIP/nwchem-6.3.revision2-src.2013-10-17/lib/LINUX64/libnwcutil.a(geom_input.o): In function `hnd_molops_':
geom_input.F:(.text+0x3709): undefined reference to `dlamch_'
I installed my libraries at a specific location and below are my libs:
make libblas.a libf77blas.a libfftw3_mpi.a libfftw3_mpi.so.3 libfftw3_omp.la libfftw3_omp.so.3.4.4 libfftw3.so.3.4.4 libptcblas.a libscalapack.a libtmglib.so
lapack_LINUX.a libblas.so libfftw3.a libfftw3_mpi.la libfftw3_mpi.so.3.4.4 libfftw3_omp.so libfftw3.so liblapack.a libptf77blas.a libtatlas.so pkgconfig
libatlas.a libcblas.a libfftw3.la libfftw3_mpi.so libfftw3_omp.a libfftw3_omp.so.3 libfftw3.so.3 liblapack.so libsatlas.so libtmglib.a
----
My compilation environment is:
mpicc -v
mpicc for MVAPICH2 version 1.9
Using built-in specs.
COLLECT_GCC=gcc
COLLECT_LTO_WRAPPER=/nfs/app1/centos6.3/gnu/gcc-4.8.2/bin/../libexec/gcc/x86_64-redhat-linux/4.8.2/lto-wrapper
Target: x86_64-redhat-linux
Configured with: ../configure --prefix=/app1/centos6.3/gnu/gcc-4.8.2 CFLAGS='-fPIC -O3 ' LDFLAGS='-L/app1/centos6.3/gnu/gcc-4.8.2/lib -L/app1/centos6.3/gnu/gcc-4.8.2/lib/ ' --enable-libada --enable-libssp --enable-objc-gc --with-bugurl=http://bugzilla.redhat.com/bugzilla --enable-bootstrap --enable-shared --enable-threads=posix --with-system-zlib--enable-__cxa_atexit --disable-libunwind-exceptions --enable-gnu-unique-object --enable-languages=c,c++,objc,obj-c++,fortran,ada --disable-dssi --with-cloog --with-tune=generic --with-arch_32=i386 --build=x86_64-redhat-linux --with-gmp=/app1/centos6.3/gnu/gcc-4.8.2 --with-mpfr=/app1/centos6.3/gnu/gcc-4.8.2 --with-mpc=/app1/centos6.3/gnu/gcc-4.8.2
Thread model: posix
gcc version 4.8.2 (GCC)
----
Hope some one can help me resolving the issue.
Thanks a lot in advance.
Regards
Srikanth Gumma
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