reassign 580828 libmopac7-1gf retitle 580828 libmopac7-1gf: Segmentation fault in lm7_ini_full_xyz() thanks
Hi, On Fri, Oct 05, 2012 at 11:26:15AM +0200, Daniel Leidert wrote: > Am Donnerstag, den 04.10.2012, 16:47 -0700 schrieb Nicholas Breen: > > On Fri, Oct 05, 2012 at 12:55:04AM +0200, Michael Banck wrote: > > > On Sat, May 15, 2010 at 09:27:34PM -0400, Bill Gunn wrote: > > > > It crashes with any molecular geometry I have tried either imported or > > > > drawn in ghemical. I attach two example files I have tested. > > > > > > I can reproduce this, albeit only on amd64 not on i386 (Debian stable > > > both). Can somebody reproduce this on 64bit on Debian testing or > > > unstable? > > > > > > 1. start ghemical > > > 2. switch to Draw > > > 3. Draw one carbon > > > 4. Compute->Setup, switch to all QM > > > 5. Compute->Energy > > > > Following those steps, I cannot reproduce the crash on my amd64/sid system: > > > > Changed the Setup for calculations (setup = allqm, engine = eng1_qm_mopac : > > MOPAC7 / MNDO). > > Calculating Energy (setup = allqm, engine = eng1_qm_mopac : MOPAC7 / MNDO). > > Energy = -11447.07446209 kJ/mol > > > > (program continues normally, no errors) > > Ditto here. I also tried to emulate i386 behaviour via 'linux32' but > still no crash. Cool. Even if ghemical seems to be the only caller of that routine right now, it crashes in libmopac7-1gf so reassigning there. Can you maybe try to install the old libmopac7-1gf_1.15-4 from squeeze (if that installs fine still) and see whether you can reproduce it with that? Installing the testing/unstable version on stable does not work due to missing dependencies. Michael -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
