Hi, I have been amazed how long (the entire night) it takes to finish an IMC+Octave iteration step after the simulation done.
With a simulation taking under an hour and IMC Octave solver taking almost exactly 12 hours, one iteration step for a pretty small system (but millions frames) takes just over half a day. Same type of IBI iteration step takes just about 3 hours. Tried for IMC: <group>all</group> and splitting a set of 10 potentials into 3 groups, with virtually same times. Is it normal? Might Numpy improve on the speed? Thank you for your clues. Andrey -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
