Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI

#!/bin/bash

module load intel/compiler/64/15.0.0.090
module load intel/mpi/64/5.0.1.035
module load intel/mkl/64/11.2


export NWCHEM_TOP=/apps/nwchem/offline/6.5-26243
export NWCHEM_TARGET=LINUX64

export ARMCI_NETWORK=OPENIB
export IB_HOME=/usr
export IB_INCLUDE=/usr/include/infiniband/
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libumad -libverbs -lpthread"

export USE_MPI=Y
export USE_MPIF=Y
export USE_MPIF4=Y
export MPI_LOC=$I_MPI_ROOT
export MPI_INCLUDE="-I$I_MPI_ROOT/include"
export MPI_LIB="-L$I_MPI_ROOT/lib64"
export LIBMPI="-lmpifort -lmpi -lmpigi -ldl -lrt -lpthread"

export NWCHEM_MODULES="all python"
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE

export PYTHONHOME=/usr
export PYTHONVERSION=2.6
export USE_PYTHON64=y
export PYTHONLIBTYPE=so

sed -i 's/libpython$(PYTHONVERSION).a/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)/g' $NWCHEM_TOP/src/config/makefile.h

export HAS_BLAS=yes
export USE_SCALAPACK=y
export MKLLIB=$MKLROOT/lib/intel64
export MKLINC=$MKLROOT/include
export BLASOPT="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export LAPACK_LIBS="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export SCALAPACK="-L$MKLLIB -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"

export SCALAPACK_SIZE=8
export BLAS_SIZE=8
export USE_64TO32=y

export FC=ifort
export CC=icc

echo "cd $NWCHEM_TOP/src"
cd $NWCHEM_TOP/src

echo "BEGIN --- make realclean "
make realclean
echo "END --- make realclean "

echo "BEGIN --- make nwchem_config "
make nwchem_config
echo "END --- make nwchem_config "

echo "BEGIN --- make"
make CC=icc FC=ifort FOPTIMIZE=-O3 -j4
echo "END --- make "

cd $NWCHEM_TOP/src/util
make CC=icc FC=ifort FOPTIMIZE=-O3 version
make CC=icc FC=ifort FOPTIMIZE=-O3
cd $NWCHEM_TOP/src
make CC=icc FC=ifort FOPTIMIZE=-O3  link

ld: cannot find -lccsd
make: *** [link] Error 1

argument  1 = ccsdt_polar_small.nw

(rank:0 hostname:node-as-agpu-001 pid:11185):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
  iter_orthog: failed to converge, error =   0.199219241745242     
 iter_orthog: failed to converge                   0
  iter_orthog: failed to converge, error =   0.199219241745242     
  iter_orthog: failed to converge, error =   0.199219241745242     
 iter_orthog: failed to converge                   0
  iter_orthog: failed to converge, error =   0.199219241745242     
 iter_orthog: failed to converge                   0

module load intel/compiler/64/14.0/2013_sp1.3.174
module load intel-mpi/64/4.1.3/049
module load intel/mkl/64/11.1/2013_sp1.3.174

module load intel/compiler/64/15.0.0.090
module load intel/mpi/64/5.0.1.035
module load intel/mkl/64/11.2

export NWCHEM_TOP=/apps/nwchem/offline/6.5-intel-impi
export NWCHEM_TARGET=LINUX64

export NWCHEM_LONG_PATHS=Y

# USE_NOIO can be set to avoid NWChem 6.5 doing I/O for the ddscf, mp2 and ccsd modules (it automatically sets USE_NOFSCHECK, too).
# It is strongly recommended on large clusters or supercomputers or any computer lacking any fast and large local filesystem. 
export USE_NOIO=TRUE

# LIB_DEFINES can be set to pass additional defines to the C preprocessor (for both Fortran and C), e.g. 
# Note: -DDFLT_TOT_MEM sets the default dynamic memory available for NWChem to run, where the units are in doubles.
export LIB_DEFINES='-DDFLT_TOT_MEM=16777216'

export ARMCI_NETWORK=OPENIB
export IB_HOME=/usr
export IB_INCLUDE=/usr/include
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libumad -libverbs -lpthread"

export USE_MPI=Y
export USE_MPIF=Y
export USE_MPIF4=Y
export MPI_LOC=$I_MPI_ROOT
export MPI_INCLUDE="-I$I_MPI_ROOT/include64"
export MPI_LIB="-L$I_MPI_ROOT/lib64"
export LIBMPI="-lmpiif -lmpi -ldl -lrt -lpthread"

export NWCHEM_MPIF_WRAP="mpiifort"
export NWCHEM_MPIC_WRAP="mpiicc"
export NWCHEM_MPICXX_WRAP="mpiicpc"

export NWCHEM_MODULES="all"
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE

export HAS_BLAS=yes
export USE_SCALAPACK=y
export MKLLIB=$MKLROOT/lib/intel64
export MKLINC=$MKLROOT/include
export BLASOPT="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export LAPACK_LIB="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export BLAS_LIB="-L$MKLLIB -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lpthread -lm"
export SCALAPACK="-L$MKLLIB -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
export SCALAPACK_LIB="-L$MKLLIB -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"

export SCALAPACK_SIZE=8
export BLAS_SIZE=8

export FC=ifort
export F77=ifort
export CC=icc
export CXX=icpc
export AR=xiar