Hi, More likely, you start a job on IBM SP. If so, it is a known error, and you should edit your input file according
&CONTROL ... ... &end and etc. Bests, Eyvaz. --- ?? ?? <zhupwscf at yahoo.com.cn> wrote: > Dear Dr. : > I have attached the input,output and the > error files of the TiC in the affix as following: > > The output file of TiC: > *************************************************************** > .Program PWSCF v.2.1.3 starts ... > Today is 27Apr2005 at 21: 8:32 > Ultrasoft (Vanderbilt) Pseudopotentials > Current dimensions of program pwscf are: > ntypx =10 npk =40000 lmax = 3 > nchix = 6 ndmx = 2000 nbrx =14 nqfx = 8 > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from read_namelists : error # 136 > reading namelist control > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > stopping ... > ********************************************************************************* > > The input file of TiC: > ************************************************************************************ > &CONTROL > title = TiC , > calculation = 'vc-relax' , > restart_mode = 'from_scratch' , > outdir = > '/home/zul2/Tic-pwscf/' , > pseudo_dir = > '/home/zul2/pwscf/fhi98PP/bin/Elements/Ham/' , > / > &SYSTEM > ibrav = 2, > A = 4 , > B = 4 , > C = 4 , > cosAB = 0 , > cosAC = 0 , > cosBC = 0 , > nat = 2, > ntyp = 2, > ecutwfc = 20 , > ecutrho = 60 , > nspin = 2 , > starting_magnetization(1) = 0, > starting_magnetization(2) = 0, > / > &ELECTRONS > electron_maxstep = 100, > / > &IONS > / > &CELL > / > ATOMIC_SPECIES > Ti 22.00000 22-Ti:h.ini > C 6.00000 06-C:h.ini > ATOMIC_POSITIONS crystal > Ti 0.000000000 0.000000000 0.000000000 > > C 0.500000000 0.500000000 0.500000000 > > K_POINTS gamma > *********************************************************************************** > > > Eyvaz Isaev <eyvaz_isaev at yahoo.com> ????: > Dear Zhu, > > There is a "nearsightseeing" principle in condensed > matter physics. According to this principle I don't > see your output file, therefore, I do not feel (or > see) an error. > > Bests, > Eyvaz. > > > --- ???? ??#1038; > wrote: > > Dear Eyvaz: > > I'm grateful to you for helping me. > > There is not pseudopotential for Co atom > > except for fhi98pp pseudopotential of Co atom. The > > output file said nothing but just error 136, > > > > Best regards! > > Yours sincerely, > > L.Zhu > > > > Eyvaz Isaev > ??#1169;?#1040;: > > Hello, > > > > It means that it does not depend on PsP, at least. > > > I suggest, nobody will be able to say something > > until you send your ouput file. > > > > Bests, > > Eyvaz. > > > > --- ?#1118;?? ?#8470;#1038; > > wrote: > > > Dear everyone: > > > I'm a new user of pwscf, I use the fhi98pp > > > pseudopotential ,but there is an error 136, and > > say > > > nothing, I user other pseudopotential ,it's the > > > same error. I don't know what's wrong. > > > > > > > > > Best regards! > > > > > > > > > > > > > > > --------------------------------- > > > Do You Yahoo!? > > > > > > ?#8470;#1118;#1030;?#1058;???#1038;#1029;?#1065;?#1169;?#1041;?#1081;?#1025;?#1062;???#1044;?#1110;???#1118;???#1059;?#1057;?#1079;???? > > > > __________________________________________________ > > Do You Yahoo!? > > Tired of spam? Yahoo! Mail has the best spam > > protection around > > http://mail.yahoo.com > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > --------------------------------- > > Do You Yahoo!? > > > ??#1118;#1030;??????#1029;?????#1041;?????#1062;???#1044;?????#1118;?????#1057;?#1079;???? > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam > protection around > http://mail.yahoo.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > --------------------------------- > Do You Yahoo!? > ?????????????????????????????? __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
