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. Regards, Daniel -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
