2016-05-03 13:01 GMT-06:00 Emilio Ruiz <[email protected]>: > 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]. > 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. -- 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.
