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/20130312/2bbb01fd/attachment.htm>
