[Pw_forum] "charge is wrong" error

[Aihua Zhang]

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.

Aihua

On Sat, Mar 14, 2009 at 10:39 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> 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
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
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