[Pw_forum] Problem with BFGS

Gabriele Sclauzero sclauzer at sissa.it
Fri Jul 7 11:16:45 CEST 2006


pw.x crashed when performing a bfgs relax, with the following error message:

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      task #         0
      from bfgs : error #         1
      bfgs history already reset at previous step
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

If the problem has not already been noticed and someone is aiming to 
trace and solve it, I will send him/her the input and output of that run.

Gabriele



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