case.vsp is generated by lapw0 in the first scf cycle. ls -als *vsp*
You should see case.vsp_st (generated by lstart) and cp case.vsp_st case.vsp x lapw1 -nmat_only Am 05.01.2011 09:05, schrieb Aboudi Hamouda: > Dear Wien2k developers and users, > > I am trying to run a openmpi calculation but first I need to estimate > the Wien2k memory requirements. > > I read that we need to use 'x lapw1 -nmat_only'. Si I have made the > init_lapw process and after I wrote x lapw1 -nmat_only. I have the > following errors > > x lapw1c -nmat_only STOP LAPW1 - Error > > 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > > > and when I edit the error file > > cat lapw1.error > > Error in LAPW1 > > 'INILPW' - can't open unit: 18 > > 'INILPW' - filename: W100_pentacene.vsp > > 'INILPW' - status: old form: formatted > 'LAPW1' - INILPW aborted unsuccessfully. > > Someone can tell me if I have to change something in the sentence or add > new commands. > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671