Are you using Wien2k 11.1? There was a bug in it: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017010.html
P.S. Wien2k 12.1 is basically a fixed version of 11.1. On 3/12/2013 3:34 AM, Azadeh Beiranvand wrote: > dear all wien users > I have encountered a problem in mini program for Cu2ZnGeSe4 > structure.(my parameters are:rkmax=6,kpoint=52 and structure is > tetragonal with I-4 space group) > when i put convergence on force,after some cycles this error occurs: > in cycle 14 ETEST: .0000125200000000 CTEST: .0012684 > LAPW0 END > LAPW1 END > LAPW1 END > LAPW1 END > LAPW1 END > LAPW2 - FERMI; weighs written > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapw2c 0000000000461391 l2main_ 892 > l2main_tmp_.F > lapw2c 0000000000474C8C MAIN__ 564 > lapw2_tmp_.F > lapw2c 0000000000403CCC Unknown Unknown Unknown > libc.so.6 0000003D6921ECDD Unknown Unknown Unknown > lapw2c 0000000000403BC9 Unknown Unknown Unknown > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapw2c 0000000000461391 l2main_ 892 > l2main_tmp_.F > lapw2c 0000000000474C8C MAIN__ 564 > lapw2_tmp_.F > lapw2c 0000000000403CCC Unknown Unknown Unknown > libc.so.6 0000003D6921ECDD Unknown Unknown > Unknown > lapw2c 0000000000403BC9 Unknown Unknown Unknown > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapw2c 0000000000461391 l2main_ 892 > l2main_tmp_.F > lapw2c 0000000000474C8C MAIN__ 564 > lapw2_tmp_.F > lapw2c 0000000000403CCC Unknown Unknown Unknown > libc.so.6 0000003D6921ECDD Unknown Unknown Unknown > lapw2c 0000000000403BC9 Unknown Unknown Unknown > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapw2c 0000000000461391 l2main_ 892 > l2main_tmp_.F > lapw2c 0000000000474C8C MAIN__ 564 > lapw2_tmp_.F > lapw2c 0000000000403CCC Unknown Unknown Unknown > libc.so.6 0000003D6921ECDD Unknown Unknown Unknown > lapw2c 0000000000403BC9 Unknown Unknown Unknown > cp: cannot stat `.in.tmp': No such file or directory > rm: cannot remove `.in.tmp': No such file or directory > rm: cannot remove `.in.tmp1': No such file or directory > > > stop error > --------------------------------------------------------------------------------------------------------------- > error files contain this massage: "testerror: Error in Parallel LAPW2" > also when i do not use parallel calculation again this error appears. > best wishes. > > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130312/182fe642/attachment.htm>