[Pw_forum] Segmentation Fault when using pw2casino on moderately sized system?

[Henry J Seeley]

Hello all,

I keep getting a mysterious error when trying to use the option 
'-pw2casino' on my nscf calculations in an attempt to obtain the 
wavefunctions for my system. All other calculations run smoothly, it's 
only when I use pw2casino that I get this error, which occurs 
immediately after all band energies have been solved:

'Program received signal SIGSEGV: Segmentation fault - invalid memory 
reference.'

I've tried using '-pw2casino' for two simple test systems: a primitive 
cell of bulk Si and a Si monolayer (pbe-mt_fhi psuedopotential). When I 
do these calculations everything runs smoothly; I get no error and 
obtain my wavefunctions.

Attached is one of the input files that DOES give me the error (PbS 
supercell). I'm guessing this error arises from either the size of the 
system or the psuedopotentials I'm using.

Does anyone know what the issue may be?

Thank you,
Hank Seeley
Chemistry Department, University of Oregon
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