Hello Christoph, Thank you for your reply.
On Monday, May 1, 2023 at 1:07:40 PM UTC-4 Christoph Junghans wrote: > 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/b8f552c4-8374-4c95-8d3f-4c11e2badb01n%40googlegroups.com.
