Bugs item #3349429, was opened at 2011-07-02 13:54 Message generated for change (Tracker Item Submitted) made by jiahao You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3349429&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File Translation Group: 3.0 Status: Open Resolution: None Priority: 5 Private: No Submitted By: Jiahao Chen (jiahao) Assigned to: Nobody/Anonymous (nobody) Summary: obabel cyclization hang for large silicon cluster Initial Comment: In converting the attached amorphous silicon cluster 3x3x3 supercell from XYZ to Mol2, obabel appears to hang while calculating the ring topology (the program did not finish in 22 hours). In contrast, the unit cell XYZ to Mol2 is successful and completes in five seconds. Please find attached a tarball, split into two chunks using gnu split, containing the structures and corresponding output logs, and the successful output for the single unit cell. In gdb, the backtrace is identical whenever I stop the execution except for lines #0 and #1. Shown is the backtrace after execution was stopped manually after 22 hrs. This problem occurs with the head revision (r4519) on ubuntu-10.04 x86_64. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3349429&group_id=40728 ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
