On Sat, Apr 29, 2023 at 7:26 PM Sanjeet Singh <[email protected]> wrote: > > Hello Chirstoph, > > Thank you for your reply. > > For the sake of clarity, I have some question on the same line. > > I can run Force Matching only on 1 CPU???? Yes! Unless you implement it ;-)
> > That means if I want to perform FM on many interactions simultaneously, then > I need to have good amount of RAM in my system. The memory usage is determined mainly by the block size, smaller block size means less memory usage, but also less frames to average over and hence rougher averages. Christoph > > Please correct me if I am wrong. > > Thank you. > > Sanjeet > > On Friday, April 28, 2023 at 12:28:37 PM UTC-4 Christoph Junghans wrote: >> >> On Fri, Apr 28, 2023 at 6:26 AM Sanjeet Singh <[email protected]> wrote: >> > >> > Hello, >> > >> > I have installed VOTCA on cluster using Spack. >> > >> > And I would like to know that Can I run force matching in parallel >> > (multithreading)? >> No, it is not implemented, yet. >> >> Christoph >> >> > >> > Sorry, if the question is very trivial. >> > >> > Thank you. >> > >> > Sanjeet >> > >> > -- >> > Join us on Slack: https://join.slack.com/t/votca/signup >> > --- >> > 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 view this discussion on the web visit >> > https://groups.google.com/d/msgid/votca/ccc0c8f5-1258-4b99-8bc8-c25430265733n%40googlegroups.com. >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/7e1df471-e527-411d-ace9-897ff235eec9n%40googlegroups.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e5qmXc0cbdrnQ9OpwQq4Pcmk%2BUMB-DwR11AXh0_kQ_b8Q%40mail.gmail.com.
