NWPW Optimization Fail to Converge for a Tutorial Job
Click here for full thread
Clicked A Few Times
8:05:11 PM PDT - Sun, May 8th 2011
I just confirm that this unconverged result only happens when more than 1 cpu is required. I got the converged result in the 6th optimization cycle as expect when only 1 cpu was required.
Does any one able to reproduce this error in NWChem ver. 6.0?