[gpaw-users] get_projections_error

d.davelou at materials.uoc.gr d.davelou at materials.uoc.gr
Tue Mar 1 13:08:41 CET 2016


Dear all,

I try to calculate the probabilties of the wavefunctions of my  
structure and I keep getting this error:

--------------------------------------
  File  
"/gpfs/buildsets/eb150518/software/GPAW/0.10.0.11364-goolf-1.4.10-Python-2.7.3/lib/python2.7/site-packages/gpaw/aseinterface.py", line 621, in  
get_projections
GPAW CLEANUP (node 11): <type 'exceptions.AssertionError'> occurred.   
Calling MPI_Abort!
     assert wfs.gd.comm.size == 1
---------------------------------------

Best regards,
Davelou Daphne

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