`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference


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9:27:07 AM PDT - Fri, Aug 29th 2014
Thank you for quick response. please find the below environment



Below is the environment which i'm using:


export USE_NOFSCHECK=TRUE
export LIB_DEFINES="-DDFLT_TOT_MEM=16777216"
export TCGRSH=/usr/local/bin/ssh
export USE_64TO32=yes
export HAS_BLAS=yes
export MRCC_THEORY=TRUE
export LAPACK_LIB="-L/app1/centos6.3/gnu/SCIlibs/lib -llapack"
export USE_SCALAPACK=y
export SCALAPACK_LIB="-L/app1/centos6.3/gnu/SCIlibs/lib -lscalapack"
export SCALAPACK_SIZE=4
export BLASOPT="-L/app1/centos6.3/gnu/SCIlibs/lib -lblas -latlas"
export PYTHONHOME=/usr/
export PYTHONVERSION=2.6
export USE_PYTHON64=y
export NWCHEM_MODULES="all python qm md"



  1. MPICH
       export MPI_LOC=/app1/centos6.3/gnu/mvapich2-1.9  #location of mpich

       export MPI_LIB=$MPI_LOC/lib

       export MPI_INCLUDE=$MPI_LOC/include

       export LIBMPI=" -lmpichf90 -Wl,-rpath -Wl,/app1/centos6.3/gnu/mvapich2-1.9/lib -lmpich -lopa -lmpl -libmad -lrdmacm -libumad -libverbs -ldl -lrt -lm -lpthread "

       export MPI_CC=mpicc

       export MPI_CXX=mpicxx

       export ARMCI_NETWORK=OPENIB

       export USE_MPI=y

       export USE_MPIF=y

       export USE_MPIF4=y

       export MPI_F90=mpiifort

       export FC=mpif90

       export CC=mpicc


export NWCHEM_TOP=opt/ZIP/nwchem-6.3.revision2-src.2013-10-17
cd $NWCHEM_TOP/src
export NWCHEM_TARGET=LINUX64

make clean
make 64_to_32
make nwchem_config
make |tee make.log




I installed my libraries at a specific location and below are my libs:

cmake 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)




for the commands given by you, there's no output at all, please suggest.