Thank you, Edoapra! I feel very thankful for your concern about this problem.
Now I can run NWChem. (I got help from one student in other lab) I changed the NWChem scripts in .bashrc file.
This is the new scripts that I wrote.
### (same scripts as before) ###
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export TCGRSH=/usr/bin/ssh
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
### (changed) ###
export NWCHEM_TOP=/opt/nwchem/nwchem-6.1 # I changed the path a little for general site running.
export NWCHEM_EXEC=/opt/nwchem/nwchem-6.1-general/bin/nwchem
export BLASOPT="-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_lapack" # "mkl_lapack" library was added
export MPI_LOC=/opt/mpi/intel/openmpi-1.4.1 # changed from mpich2 to openmpi
export LIBMPI="-L/opt/mpi/intel/openmpi-1.4.1/lib -lmpi -lopen-pal -lopen-rte -lmpi_f90 -lmpi_f77" # libraries in openmpi folder
export FC=$MPI_LOC/bin/mpif90 #here I wrote path for compilers in openmpi folder
export F77=$MPI_LOC/bin/mpif77
export CC=$MPI_LOC/bin/mpicc
I checked the util.fh file after I succeeded. I found that it has "ddot scripts"!!
This is util.fh scripts that I checked after running NWChem.
#include "printlevels.fh"
c
C$Id: util.fh 19707 2010-10-29 17:59:36Z d3y133 $
logical util_print
double precision ddot
double precision util_cpusec
double precision util_wallsec
double precision util_random
integer util_batch_job_time_remaining
integer util_time_remaining
logical util_test_time_remaining
logical util_nwchemrc_get
external util_print
external ddot
external util_cpusec
external util_wallsec
external util_random
external util_batch_job_time_remaining
external util_time_remaining
external util_test_time_remaining
external util_nwchemrc_get
c
logical util_xyz_seek
external util_xyz_seek
logical util_xyz_nframes
external util_xyz_nframes
c
logical util_get_io_unit
external util_get_io_unit
c
integer nw_max_path_len ! Maximum path len -> posix standard is what?
parameter (nw_max_path_len = 255)
c
I see the difference between two .bashrc script but still don't understand what made the difference.
(I mean, I couldn't run NWChem before but now I can. Also util.fh has ddot scripts.)
Would you(Edoapra? anyone?) like to explain the difference between two scripts?
Anyway, I'd like to express my thanks again. (Thank you!!)
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