Am 22.11.2010 15:23, schrieb Manuel Hechinger: > Hello, > > I am using the obconformer-routine with the FF94 forcefield on a very large > number of molecules (around 17 million). Therefore I run the calculations in > parallel. I installed OpenBabel version 2.3.0 for Linux. Although the > calculations seem to work fine for now, I wonder if running several instances > (up to 20) of OpenBabel in parallel can cause erroneous calculations or might > even lead to software crashes.
As far as I know, OB is not (at least not entirely) thread safe. But as long as you run those instances as separate processes and not in threads, you should be safe in terms of unwanted interaction between the instances. best regards, Ernst-Georg Schmid ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today http://p.sf.net/sfu/msIE9-sfdev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
