Are you using $SCRATCH ? Is this a shared memory machine, do you use ssh or rsh for parallelization ?
execute vec2old_lapw $para on the commandline, eventually add the -x switch in the first line of the script. Yongsheng Zhang schrieb: > Yes, I also notice that. I download the SRC package, and they are no > difference to my installed one. I definitely have the vec2old_lapw file. > > The funny thing is: In the run_lapw file, the 297th line, it is > vec2old_lapw $para >> $dayfile > With it, no case.vector_old* are written in the case.dayfile. > However, if I change the line to > vec2old_lapw >> $dayfile > case.vector_old* can be writtern into the case.dayfile, and -it switch > works fine. > > But I don't know if I did the right thing. Do you think the problem is > come from the computer system, or k-point parallel? > > Thanks and regards, > Zhang > > Peter Blaha wrote: >> I do not see a statement in your dayfile, that the vectors are copied to >> vector.old (just after lapw0 in the second iteration) >> >> Did you update all *_lapw scripts, do you have vec2old_lapw ?? >> >> Yongsheng Zhang schrieb: >> >>> Dear all, >>> > > -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------