It worked! Thanks a lot! Does that mean that I should never change this value (<initial_configuration>maindir</initial_configuration>) even if I'm using other systems/files/etc.? Also, why is spce.dump needed? Does it have an equivalent function to the initial target distribution?
Emilio El miércoles, 4 de mayo de 2016, 0:35:11 (UTC+2), Christoph Junghans escribió: > > 2016-05-03 13:01 GMT-06:00 Emilio Ruiz <[email protected] <javascript:>>: > > Thanks for replying! > > > > I'm using version 1.4-dev gitid: c825a67, the last lines of inverse.log > talk > > about an error: > > > > initialize_step_genericsim.sh: initial_configuration 'folder' not > > implemented > > > > Folder is where I downloaded the files from the spce tutorial. I've > checked > > that that script is present in the same folder as csg_inverse.sh, should > it > > be somewhere else? > It seems you have modified the settings.xml file. > However the initial_configuration only support "maindir", "laststep" > and "nowhere". > (see page 55 of the manual <doc.votca.org/manual.pdf>) > > I would first try to run a vanilla test case to test your installation. > > Christoph > > > > El martes, 3 de mayo de 2016, 19:20:52 (UTC+2), Christoph Junghans > escribió: > >> > >> > On 5/3/16, 10:23, "Jose Emilio Ruiz Navarro" <[email protected]> > >> > wrote: > >> > > >> >>Hello, > >> >> > >> >>I'm using one of the csg tutorials > >> >>(https://github.com/votca/csg-tutorials/tree/master/spce/ibi_lammps) > for > >> >>my masters thesis, but when I run it I just get a single line in the > >> >>terminal saying "Terminated" and nothing happens. I downloaded all > the > >> >>files in that folder and LAMMPS works correctly when I use it (maybe > >> >>VOTCA can't run it properly?). Other VOTCA programs like > csg_boltzmann > >> >>work just fine so I guess they were properly compiled. Am I missing > >> >>something? Could you help me, please? > >> Welcome! > >> > >> Try the following things: > >> 0.) Which version of VOTCA are you using? (see csg_call --version) > >> 1.) Have a look at the last 100 lines of the log file (usually > >> inverse.log). What does it say? > >> 2.) You can go into step_001 and run the simulation manually to see > >> what happens. > >> $ cd step_001 > >> $ lmp -in spce.in > >> > >> Cheers, > >> > >> Christoph > >> > >> >> > >> >>Best, > >> >> > >> >>Emilio R > >> > > >> > >> > >> > >> -- > >> 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 [email protected] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://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 [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
