[Pw_forum] "charge is wrong" error

Paolo Giannozzi giannozz at democritos.it
Mon Mar 16 12:47:47 CET 2009

Aihua Zhang wrote:

> I think you are right. It is also possible that it's a problem of acml 
> library. A pwscf binary compiled by pgif90 but linked with mkl works 
> smoothly.

I can confirm that the problem disappears if I link the local
copy of blas instead of acml. Thank you anyway for the bug

Paolo Giannozzi, Democritos and University of Udine, Italy

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