[Pw_forum] Fortran runtime error during scf in 4.0cvs3

[Yaser Rehem]

I just noticed this response now.  Thank you Paolo!
On Apr 17, 2008, at 12:51 AM, Paolo Giannozzi wrote:

>
> On Apr 16, 2008, at 21:37 , Yaser Rehem wrote:
>
>>> At line 1288 of file cegterg.f90
>>> Traceback: not available, compile with -ftrace=frame or -ftrace=full
>>> At line 1288 of file cegterg.f90
>>> Traceback: not available, compile with -ftrace=frame or -ftrace=full
>>> Fortran runtime error: Array section out of bounds
>>> Fortran runtime error: Array section out of bounds
>
> unlike most other compilers, g95 has the good habit of producing
> meaningful
> error reports instead of "segmentation violation" or "assertion
> failed" . This is
> actually a bug, although harmless, because the array section that is
> out of
> bound (only on those processors that do not perform parallel
> diagonalization)
> is never used (on those processors; on the others, everything is
> correct).
> Still, some compilers may complain, or worse. It will be fixed soon.
> Thank you
> for reporting this.
>
>>  Li 6.941	  Li_VDB_LDA_SEMI.UPF.txt
>
> note that this potential was removed from the pseudotential table
> because
> there were reports that phonon calculations were yielding strange
> results.
> Axel says that he got good results instead for structural and
> electronic properties.
>
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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