[Pw_forum] "charge is wrong" error

[Paolo Giannozzi]

On Mar 14, 2009, at 2:54 , Aihua Zhang wrote:

> Compiler is pgf95 8.0-4 64-bit target on x86-64 Linux -tp k8-64.

ah...I reproduced your problem on a different machine (cray xt4)
that also uses PGI; when I tried on my PC that uses Intel fortran,
I couldn't reproduce it.

> The problem is extremely subtle

the more I look at it, the more it looks like a compiler bug.
There is a long list of problems with PGI that turned out
to be due to compiler bugs.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy