I am still stuck with mpi (i guess) I am getting this, what does it mean? I guess i managed to put mpi somewhere random.
[d47fvj@compute-0-0 VOTCA-play_around]$ csg_inverse --options settings.xml Appending to existing logfile inverse.log ####################################################################################### # # # ERROR: # # The xml option cg.inverse.mpi.tasks has been renamed to cg.inverse.simulation.tasks # # Please remove the obsolete options from the xmlfile # # # ####################################################################################### Basically I need to run mdrun in parallel, but can I just specify it in inverse.gromacs.mdrun.command as mpirun -np 8 mdrun_mpi rather? Thank you, V 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.
