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.
