Hello, you could write a script to search the 94 x 2GB files. Either sequentially or in parallel.
When doing it in parallel, you have to accumulate the search results either in a place that allows concurrent access, e.g. a database table or write independent search result files and concatenate them into a single result after the search is over. According to Amdahl's law, the sequential concatenation step then sets the absolute lower bound of the runtime of the overall process, i.e. you cannot get faster than this. Since Tanimoto calculation is not really CPU intensive, the speed limit will be set by how fast your box can deliver the datafiles to OpenBabel and how fast it can write the results back to disk. Best regards, Ernst-Georg Schmid ------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
