[Q-e-developers] Array out of bound error in set_irr.f90 under espresso-5.0/PHonon/PH

Yang Wang ywg at psc.edu
Wed Jun 13 18:17:21 CEST 2012


Dear QE developer,
I am trying to use ph.x of espresso-5.0 to calculate dynamical matrices. 
I encountered an "array out of bound" error at line  223. Specifically, 
the value of num_rap_mode(imode) being -1 causes  
mode_per_rap(num_rap_mode(imode)) to be out of the lower bound.
Would you please check the situation when num_rap_mode(imode) is not 
properly updated from its initial value (-1) and let me know how to fix it?
BTW, I am using gfortran, and pw.x works fine.
Thanks,
-Yang

Yang Wang, Ph.D
Senior Scientist
Pittsburgh Supercomputing Center
Carnegie Mellon University




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