Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2012-10-05 Thread Michael Banck
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, Michae

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2012-10-05 Thread Daniel Leidert
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

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2012-10-04 Thread 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

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2012-10-04 Thread Michael Banck
tags 580828 -unreproducible thanks Hi, 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 (Debia

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2010-05-15 Thread Bill Gunn
On 13/05/2010, Daniel Leidert wrote: > Am Samstag, den 08.05.2010, 22:01 + schrieb Bill Gunn: > >> Segfault only occurs for MOPAC QM calculations not for MPQC ab initio >> QM calculations. Suggests that problem is with libmopac7-1gf library >> module. >> >> On running ghemical from a terminal

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2010-05-13 Thread Daniel Leidert
Am Samstag, den 08.05.2010, 22:01 + schrieb Bill Gunn: > Segfault only occurs for MOPAC QM calculations not for MPQC ab initio > QM calculations. Suggests that problem is with libmopac7-1gf library > module. > > On running ghemical from a terminal segfault occurs after the > molecular coordin

Bug#580828: ghemical: Segmentation fault on running MOPAC energy calculation

2010-05-08 Thread Bill Gunn
Package: ghemical Version: 2.99.2-1 Severity: important Segfault only occurs for MOPAC QM calculations not for MPQC ab initio QM calculations. Suggests that problem is with libmopac7-1gf library module. On running ghemical from a terminal segfault occurs after the molecular coordinates are read