sorry, mentioned the wron name. our program for rdf calculation is called csg_stat
2011/9/27 Victor Ruehle <[email protected]>: > See http://www.votca.org/Documentation/coarse-graining/reference-cgoptions > for renaming. > > One further comment here: > Since the rdf calculation takes a significant amount of time, we are > using our own, parallel program (csg_resample). So far it is only able > to run threaded (so no mpi, distributed memory, ...). It also uses the > task option. > > Best, > Victor > > > 2011/9/27 Christoph Junghans <[email protected]>: >> Just some hints (I am currently working on the documentation!) >> >> -at some point we renamed the "mpi" block to "simulation" and the >> mpirun from "mpi.cmd" should now be added to >> cg.inverse.gromacs.mdrun.command. >> -under linux you don't need to specify the number of tasks, as it is >> determined automatically >> ("sed -n '/processor/p' /proc/cpuinfo | sed -n '$='" does the magic) >> Of course this default can lead to to "cpu stealing" if you are >> sharing your computer with someone ;-) In this case you better specify >> it. >> >> Cheers, >> >> Christoph >> >> Am 27. September 2011 17:12 schrieb Valentina >> <[email protected]>: >>> Ooopsie, thank you very much! >>> >>> >>> On Sep 27, 4:06 pm, Victor Ruehle <[email protected]> wrote: >>>> Hey, >>>> >>>> > <mpi> >>>> > <tasks>8</tasks> >>>> > <cmd>mpirun -np 8 </cmd> >>>> > <mpi> >>>> >>>> you forgot the / for the mpi closing tag. Last line should be </mpi> >>>> >>>> Best, >>>> Victor >>> >>> -- >>> You received this message because you are subscribed to the Google Groups >>> "votca" group. >>> To post to this group, send email to [email protected]. >>> To unsubscribe from this group, send email to >>> [email protected]. >>> For more options, visit this group at >>> http://groups.google.com/group/votca?hl=en. >>> >>> >> >> >> >> -- >> Christoph Junghans >> Votca Core Developer >> >> Web: http://www.votca.org >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To post to this group, send email to [email protected]. >> To unsubscribe from this group, send email to >> [email protected]. >> For more options, visit this group at >> http://groups.google.com/group/votca?hl=en. >> >> > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
