Error Message from Task 0:: No such file or directory

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Forum Vet	10:42:36 AM PDT - Fri, Sep 26th 2014 Please send me the complete output of the following commands 1) unset BLASOPT; make link 2) nm $NWCHEM_TOP/bin/LINUX64/nwchem | grep -i mkl | grep -i dgemm| grep T 3) nm `which nwchem` | grep -i mkl | grep -i dgemm| grep T 4) which nwchem

Clicked A Few Times	11:01:27 AM PDT - Fri, Sep 26th 2014 unset BLASOPT; make link make nwchem.o stubs.o make[1]: warning: -jN forced in submake: disabling jobserver mode. gfortran -m64 -ffast-math -fdefault-integer-8 -Warray-bounds -O2 -g -fno-aggressive-loop-optimizations -I. -I/opt/ZIP/nwchem-6.3_gnu//src/include -I/opt/ZIP/nwchem-6.3_gnu//src/tools/install/include -DGFORTRAN -DEXT_INT -DLINUX -DLINUX64 -DCHKUNDFLW -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/opt/ZIP/nwchem-6.3_gnu/'" -DNWCHEM_BRANCH="'6.3'" -c -o nwchem.o nwchem.F gfortran -m64 -ffast-math -fdefault-integer-8 -Warray-bounds -O2 -g -fno-aggressive-loop-optimizations -I. -I/opt/ZIP/nwchem-6.3_gnu//src/include -I/opt/ZIP/nwchem-6.3_gnu//src/tools/install/include -DGFORTRAN -DEXT_INT -DLINUX -DLINUX64 -DCHKUNDFLW -DGCC4 -DGCC46 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/opt/ZIP/nwchem-6.3_gnu/'" -DNWCHEM_BRANCH="'6.3'" -c -o stubs.o stubs.F gfortran -Wl,--export-dynamic -L/opt/ZIP/nwchem-6.3_gnu//lib/LINUX64 -L/opt/ZIP/nwchem-6.3_gnu//src/tools/install/lib -o /opt/ZIP/nwchem-6.3_gnu//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 -llapack -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 which nwchem /opt/ZIP/nwchem-6.3_gnu/bin/LINUX64/nwchem no output for nm commands

Forum Vet	11:24:58 AM PDT - Fri, Sep 26th 2014 NWCHEM_TOP discrepancy I see from your link command that NWCHEM_TOP=/opt/ZIP/nwchem-6.3_gnu while your output file shows NWCHEM_TOP=/opt/ZIP/nwchem-6.3/ (you can spot this from the line source = /opt/ZIP/nwchem-6.3/ ) One more indication that you have been not running the NWChem binary that you have just created is the output line program = /nfs/app1/centos6.3/gnu/apps/NWChem/bin/nwchem The line should read, instead program = /opt/ZIP/nwchem-6.3_gnu/bin/LINUX64/nwchem You might want to have a look at the scripts/environment you use to run NWChem to be sure that you do use /opt/ZIP/nwchem-6.3_gnu/bin/LINUX64/nwchem

Clicked A Few Times	9:53:39 PM PDT - Mon, Oct 6th 2014 sorry for the delay. Finally I could run successfully after compiling and running from the same location i.e. /nfs/app1/centos6.3/gnu/apps/NWChem I read some where that once the binaries are compiled, I can move to my desired location and run from there, hence I was compiling from /opt/ZIP/nwchem-6.3_gnu/ however this method never worked for me. Thanks for all the assistance provided to me for the troubleshooting.

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