[Pw_forum] U calculation error

[Matteo Cococcioni]

Dear Peng,

can you provide info about your system? maybe it is larger than the
maximum size allowed by r.x?

Matteo

On Fri, Jul 27, 2012 at 12:41 PM, Peng Chen <pchen at ion.chem.utk.edu> wrote:
> Dear All,
>
> There are some errors when I run r.x to calculate the U. I used Espresso-5.0
> and follow the steps in LSDA+U example. I am not sure what could be wrong.
> And if you need other input/output, please let me know.
>
> Image              PC        Routine            Line        Source
> r.x                0822DACC  Unknown               Unknown  Unknown
> r.x                0822C265  Unknown               Unknown  Unknown
> r.x                082071FA  Unknown               Unknown  Unknown
> r.x                081DDFDA  Unknown               Unknown  Unknown
> r.x                081FA33B  Unknown               Unknown  Unknown
> r.x                081F9C5C  Unknown               Unknown  Unknown
> r.x                0804E38F  Unknown               Unknown  Unknown
> r.x                0804824A  Unknown               Unknown  Unknown
> r.x                0823805D  Unknown               Unknown  Unknown
> r.x                08048131  Unknown               Unknown  Unknown
> forrtl: severe (8): internal consistency check failure, file
> ./src/libfor/for_wseq_lis.c, line 635
> Image              PC        Routine            Line        Source
> r.x                0822DACC  Unknown               Unknown  Unknown
> r.x                0822C265  Unknown               Unknown  Unknown
> r.x                082071FA  Unknown               Unknown  Unknown
> r.x                081DD664  Unknown               Unknown  Unknown
> r.x                081F9AF7  Unknown               Unknown  Unknown
> r.x                0804E38F  Unknown               Unknown  Unknown
> r.x                0804824A  Unknown               Unknown  Unknown
> r.x                0823805D  Unknown               Unknown  Unknown
> r.x                08048131  Unknown               Unknown  Unknown
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC        Routine            Line        Source
> r.x                0804DAED  Unknown               Unknown  Unknown
> r.x                0804824A  Unknown               Unknown  Unknown
> r.x                0823805D  Unknown               Unknown  Unknown
> r.x                08048131  Unknown               Unknown  Unknown
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC        Routine            Line        Source
> r.x                08253657  Unknown               Unknown  Unknown
> r.x                081F4087  Unknown               Unknown  Unknown
> r.x                081DCDB7  Unknown               Unknown  Unknown
> r.x                081DF354  Unknown               Unknown  Unknown
> r.x                081DD672  Unknown               Unknown  Unknown
> r.x                081DF5E8  Unknown               Unknown  Unknown
> Unknown            FFFFE600  Unknown               Unknown  Unknown
> r.x                0804824A  Unknown               Unknown  Unknown
> r.x                0823805D  Unknown               Unknown  Unknown
> r.x                08048131  Unknown               Unknown  Unknown
>
>
> --
>   Best Regards.
>         Peng
>
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-- 
Matteo Cococcioni
Department of Chemical Engineering and Materials Science,
University of Minnesota
421 Washington Av. SE
Minneapolis, MN 55455
Tel. +1 612 624 9056    Fax +1 612 626 7246