From NWChem
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                            | Gets AroundThreads 27 Posts 51
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		                        | 11:12:25 AM PDT - Mon, Aug 12th 2013 |  |  
		                        | I am not sure what's happening, I specified this path for my ifort compiler, should I have specified it differently? 
 thanks
 
 Jonas
 
 nwchem.F(632): (col. 15) remark: BLOCK WAS VECTORIZED.
 ifort -i8 -align -w -g -vec-report1 -O2 -g   -L/home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/lib/LINUX64 -L/home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/src/tools/install/lib  -o /home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/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 -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack  -lblas   -L/usr/local/chemistry_software/openmpi-1.6.4-intel/lib /opt/intel/bin -lpthread -L/usr/local/chemistry_software/openmpi-1.6.4-intel/lib -lmpi_f90 -lmpi_f77 -lmpi    -lstdc++
 ipo: warning #11010: file format not recognized for /opt/intel/bin
 /opt/intel/bin: file not recognized: Is a directory
 make: *** [all] Error 1
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                            | Gets AroundThreads 27 Posts 51
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		                        | 11:26:09 AM PDT - Mon, Aug 12th 2013 |  |  
		                        | somehow managed to circumvent that but now other problem, any ideas? ifort -i8 -align -w -g -vec-report1 -O2 -g   -L/home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/lib/LINUX64 -L/home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/src/tools/install/lib  -o /home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19/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 -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack  -lblas   -L/usr/local/chemistry_software/openmpi-1.6.4-intel/lib -Fa -rpath -lpthread -L/usr/local/chemistry_software/openmpi-1.6.4-intel/lib -lmpi_f90 -lmpi_f77 -lmpi    -lstdc++
 ld: warning: libifport.so.5, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 ld: warning: libifcore.so.5, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 ld: warning: libimf.so, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 ld: warning: libsvml.so, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 ld: warning: libintlc.so.5, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 ld: warning: libifcoremt.so.5, needed by /usr/local/chemistry_software/openmpi-1.6.4-intel/lib/libmpi_f90.so, not found (try using -rpath or -rpath-link)
 /bin/rm -f nwchem.o stubs.o
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                            | Gets AroundThreads 27 Posts 51
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		                        | 11:26:42 AM PDT - Mon, Aug 12th 2013 |  |  
		                        | this is my script 
 export NWCHEM_TOP=/home/jbaltrus/nwchem/6.4devJuly2013/nwchem-src-2013-07-19!/bin/bash 
 
 export NWCHEM_TARGET=LINUX64echo "NWCHEM_TOP=$NWCHEM_TOP"
 echo "NWCHEM_TARGET=$NWCHEM_TARGET"
 
 export USE_MPI=y
 export USE_MPIF=y
 export USE_MPIF4=y
 export MPI_LOC=/usr/local/chemistry_software/openmpi-1.6.4-intel
 export MPI_LIB=$MPI_LOC/lib
 export MPI_INCLUDE=$MPI_LOC/include
 export LIBMPI="-Fa -rpath -lpthread -L$MPI_LIB -lmpi_f90 -lmpi_f77 -lmpi"
 
 
 export NWCHEM_MODULES="all"export LARGE_FILES=TRUE
 export USE_NOFSCHECK=TRUE
 export LIB_DEFINES=-DDFLT_TOT_MEM=16777216
 
 
 PATH=/opt/intel/bin:$PATH
 export FC=ifort
 export CC=icc
 
 echo "### START MAKING####"
 
 echo "cd $NWCHEM_TOP/src"
 cd $NWCHEM_TOP/src
 pwd
 echo "make nwchem_config"
 make nwchem_config NWCHEM_MODULES=all
 make >& make.log
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