| 5:17:01 PM PDT - Fri, Jul 22nd 2011 |
|
NWChem 6.0 with Intel compilers
|
I think Dr. van Dam is referring to my numerous postings concerning the trouble I had using Intel compilers.
My solution was to use gfortran which is a part of gcc. Note that I am using the most recent version 4.6. I also had run into memory problems using MPICH1. Simply using MPICH2 fixed those problems.
Let me know if this helps.
Also, be sure to run the script that automatically sets your memory to the correct value. I'll bet your system has more than 400MB per core.
|