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 in during a MOPAC energy calculation. -- System Information: Debian Release: squeeze/sid APT prefers unstable APT policy: (500, 'unstable') Architecture: amd64 (x86_64) Kernel: Linux 2.6.32-2.slh.4-sidux-amd64 (SMP w/1 CPU core; PREEMPT) Locale: LANG=en_US.utf8, LC_CTYPE=en_US.utf8 (charmap=UTF-8) Shell: /bin/sh linked to /bin/dash Versions of packages ghemical depends on: ii libatk1.0-0 1.28.0-1 The ATK accessibility toolkit ii libblas3gf [libblas.so.3gf] 1.2-2 Basic Linear Algebra Subroutines 3 ii libc6 2.10.2-2 GNU C Library: Shared libraries ii libcairo2 1.8.8-2 The Cairo 2D vector graphics libra ii libfontconfig1 2.8.0-1 generic font configuration library ii libfreetype6 2.3.11-1 FreeType 2 font engine, shared lib ii libgcc1 1:4.4.2-8 GCC support library ii libgfortran3 4.4.2-8 Runtime library for GNU Fortran ap ii libghemical5 2.99.1-1 Molecular Modelling Library ii libgl1-mesa-glx [libgl1] 7.6.1-1 A free implementation of the OpenG ii libglade2-0 1:2.6.4-1 library to load .glade files at ru ii libglib2.0-0 2.22.3-2 The GLib library of C routines ii libglu1-mesa [libglu1] 7.6.1-1 The OpenGL utility library (GLU) ii libgtk2.0-0 2.18.5-1 The GTK+ graphical user interface ii libgtkglext1 1.2.0-1 OpenGL Extension to GTK+ (shared l ii libice6 2:1.0.6-1 X11 Inter-Client Exchange library ii liblapack3gf [liblapack.so. 3.2.1-2 library of linear algebra routines ii libmopac7-1gf 1.15-4 Semi-empirical Quantum Chemistry L ii liboglappth2 0.98-2 Oglappth Library ii libopenbabel3 2.2.3-1+b1 Chemical toolbox library ii libpango1.0-0 1.26.2-1 Layout and rendering of internatio ii libsc7 2.3.1-6 The Scientific Computing Toolkit ii libsm6 2:1.1.1-1 X11 Session Management library ii libstdc++6 4.4.2-8 The GNU Standard C++ Library v3 ii libx11-6 2:1.3.2-1 X11 client-side library ii libxml2 2.7.6.dfsg-1 GNOME XML library ii libxmu6 2:1.0.5-1 X11 miscellaneous utility library ii libxt6 1:1.0.7-1 X11 toolkit intrinsics library ii mpqc 2.3.1-6 The Massively Parallel Quantum Che ghemical recommends no packages. ghemical suggests no packages. -- no debconf information -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
