(Solved) (Optimization task) calculation doesn't proceed at certain state

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10:56:40 PM PDT - Mon, Apr 2nd 2012
Solved
My advisor tried to re-install NWCHEM with a little bit different environment setup and now it works well. These things are changed from previous setup. 1. Fortran and C compiler : from ifort&icc to mpif90. (didn't indicate C compiler) 2. BLASOPT libraries : changed and added 3. LIBMPI library : path was clarified 4. etc. : clarified path in OPENMPI setup file.