The line in rmm-diis.F where NSTRIP is set reads
NSTRIP=MIN(NSIM,WDES%NBANDS)*2
If W%OVER_BAND=.TRUE. and WDES%NBANDS<NSIM, this may result in a segmentation fault. It seems that the factor of 2 should not be there, or should only multiply NSIM. If LASYNC=.FALSE., then this bug will never surface.
minor bug in rmm-diis.F
Moderators: Global Moderator, Moderator
-
cpp6f
- Newbie
- Posts: 39
- Joined: Sat Nov 12, 2005 2:04 am
minor bug in rmm-diis.F
Last edited by cpp6f on Fri Jul 28, 2006 1:59 am, edited 1 time in total.
-
admin
- Administrator
- Posts: 2922
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
minor bug in rmm-diis.F
Since the error surfaces only for LASYNC=.TRUE. the bug will not be fixed.
LASYNC is not really supported any longer (G. Kresse has updated the manual to say so). LASYNC=.TRUE. has not been tested for a long time, and errors have possibly creeped in at several places. In fact, the performance of LASYNC, was very disappointing and we finally gave up to use it...
LASYNC is not really supported any longer (G. Kresse has updated the manual to say so). LASYNC=.TRUE. has not been tested for a long time, and errors have possibly creeped in at several places. In fact, the performance of LASYNC, was very disappointing and we finally gave up to use it...
Last edited by admin on Fri Aug 04, 2006 11:55 am, edited 1 time in total.