[Pw_forum] U calculation error

Peng Chen pchen at ion.chem.utk.edu
Fri Jul 27 19:41:00 CEST 2012


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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