Oh, ok, great! Things are making sense now, thank you! PS - I am not giving access to the cluster to anyone, so I'm safe;)
Valentina On Sep 27, 4:36 pm, Victor Ruehle <[email protected]> wrote: > Seehttp://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 > >> athttp://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 > > athttp://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.
