1:01:42 AM PDT - Sun, May 25th 2014 |
|
How many nodes are you using?
|
Is this running on 4 nodes, each with 60 GB of global memory? That seems like it would be about right, since the 2 electron intermediate storage alone needs nearly 230 GB (8 * 28442452050). If it's less than 4 nodes you definitely have too little memory. If you can't run with more memory you can try changing the IO scheme in the TCE block to one of the file-based ones (slow), or you can try the advice here:
http://www.emsl.pnl.gov/docs/nwchem/nwchem-support/2008/05/0054.Re:_NWCHEM_Large_memory_TC...
|