[Wien] lapw5 problem with SUB option

L. D. Marks L-marks at northwestern.edu
Sat May 14 15:55:35 CEST 2005


I have a problem with x lapw5 -c -up (perhaps other cases as well) for
a large problem when SUB is set in case.in5c. It's giving a segmentation
fault with the apparent error

x lapw5 -up -c
forrtl: severe (408): fort: (2): Subscript #1 of the array RNOT has value
1 which is greater than the upper bound of -1

Image              PC        Routine            Line        Source

lapw5c             0804B3C0  charg_                     16  charg.f
lapw5c             08055A92  main1_                    442  main1.f
lapw5c             0804EC53  MAIN__                     27  lapw5.f

This error report is certainly false, and somewhere the code has dribbled
over memory. Any suggestions, since finding this type of problem can
be #$!!*. I've thought about valgrind, but its a bit painful.

Compilation:
ifort 8.1.024
Flags:  -FR -check -traceback -fminshared (i.e. debug type)
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
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