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minor bug in rmm-diis.F

Posted: Fri Jul 28, 2006 1:59 am
by cpp6f
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

Posted: Fri Aug 04, 2006 11:55 am
by admin
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...