2015-11-04 8:56 GMT-07:00 Pallavi Banerjee <pallavis...@students.iiserpune.ac.in>: > Hey users, > > I am restarting a crashed run by deleting the directory of the incomplete > step. I use 'csg_inverse --options settings.xml' for the restart. > But errors as these show up in the log file: These aren't errors, just some messages about options are not set in your settings file and hence VOTCA would use them or use it's internal defaults. If you look at the log before the restart, you will see it has the same lines.
Christoph > > csg_get_property: No value for 'cg.inverse.gromacs.mdp' found in > /glb/data/ccb_nb1/inpbc6/IBI/IBI_nonbonded/settings.xml, trying > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml > csg_get_property: value for 'cg.inverse.gromacs.mdp' from > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml: > grompp.mdp > csg_get_property: No value for 'cg.inverse.gromacs.mdp' found in > /glb/data/ccb_nb1/inpbc6/IBI/IBI_nonbonded/settings.xml, trying > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml > csg_get_property: value for 'cg.inverse.gromacs.mdp' from > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml: > grompp.mdp > csg_get_property: No value for 'cg.inverse.gromacs.mdrun.checkpoint' found > in /glb/data/ccb_nb1/inpbc6/IBI/IBI_nonbonded/settings.xml, trying > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml > csg_get_property: value for 'cg.inverse.gromacs.mdrun.checkpoint' from > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml: > state.cpt > csg_get_property: No value for 'cg.inverse.gromacs.pre_simulation' found in > /glb/data/ccb_nb1/inpbc6/IBI/IBI_nonbonded/settings.xml, trying > /glb/data/hpcrnd/easybuild/PRODUCTION/software/rhel/6/VOTCA-CSG/1.3_rc1-goolf-2015.02/share/votca/xml/csg_defaults.xml > > Am I to use additional options to the csg_inverse command? > > Thanks in advance. > > -Pallavi Banerjee > > -- > 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 votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
