Bugs item #1911133, was opened at 2008-03-10 16:08
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Carsten Niehaus (cniehaus)
Assigned to: Nobody/Anonymous (nobody)
Summary: Crash when playing around with the forcefields.
Initial Comment:
Latest OB and Avogadro (trunk). Qt 4.4beta1.
Program received signal SIGSEGV, Segmentation fault.
[Switching to Thread 0xb67e5b90 (LWP 15168)]
0xb6e731f7 in memset () from /lib/libc.so.6
(gdb) bt
#0 0xb6e731f7 in memset () from /lib/libc.so.6
#1 0xb7f26eb8 in OpenBabel::OBForceField::ClearGradients (this=0xb7fc9920) at …/…/include/openbabel/forcefield.h:473
#2 0xb7f1d53a in OpenBabel::OBForceFieldGhemical::Energy (this=0xb7fc9920, gradients=true) at forcefieldghemical.cpp:901
#3 0xb7e8d40c in OpenBabel::OBForceField::SteepestDescentInitialize (this=0xb7fc9920, steps=25, econv=0.0001, method=2) at forcefield.cpp:2223
#4 0xb7e8d55a in OpenBabel::OBForceField::SteepestDescent (this=0xb7fc9920, steps=25, econv=0.0001, method=2) at forcefield.cpp:2291
#5 0xb6bfa25d in Avogadro::AutoOptThread::update () from /home/kde-devel/kde/build/avo-git/libavogadro/src/tools/libautoopttool.so
#6 0xb6bfa37d in Avogadro::AutoOptThread::run () from /home/kde-devel/kde/build/avo-git/libavogadro/src/tools/libautoopttool.so
#7 0xb723bcc7 in QThreadPrivate::start () from /usr/lib/libQtCore.so.4
#8 0xb71b7192 in start_thread () from /lib/libpthread.so.0
#9 0xb6ec802e in clone () from /lib/libc.so.6
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