[Wien] lapw2c unknown error
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 14ETEST: .1252 CTEST: .0012684 LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weighs written forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 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
[Wien] lapw2c unknown error
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 14ETEST: .1252 CTEST: .0012684 LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weighs written forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource lapw2c 00461391 l2main_ 892 l2main_tmp_.F lapw2c 00474C8C MAIN__564 lapw2_tmp_.F lapw2c 00403CCC Unknown Unknown Unknown libc.so.6 003D6921ECDD Unknown Unknown Unknown lapw2c 00403BC9 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
[Wien] an unknown error
thank you for your kind response. i can not understand the problem according to your directions. it is mine fault as i am not much experienced in Linux. i simply installed wien2k in root directory and now it is working fine. On Wed, Sep 19, 2012 at 1:32 PM, Peter Blaha pblaha at theochem.tuwien.ac.atwrote: Check the compilation. sgroup is a C program, not fortran. cd SRC_sgroup more compile.msg Am 18.09.2012 10:39, schrieb Muhammad Sajjad: Respected Group Members hello. I re-installed wien2k version 8 on a machine of type Dell Core I5 Desktop with operating system FEDORA17 (64 BIT) , fortran compiler l_fcompxe_2013.0.079. when i start OPT then i found error on clicking 'x sgroup' in initialization, and the error is /home/WIEN2K/w2k8/sgroup: Command not found. /home/WIEN2K/w2k8/sgroup: Command not found. diff: OPT.outputsgroup: No such file or directory diff: OPT.outputsgroup1: No such file or directory /home/WIEN2K/w2k8/sgroup: Command not found. 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/WIEN2K/w2k8/sgroup -wi OPT.struct -wo OPT.struct_sgroup -set-TOL=0.1 failed I am unable to find the reason and solution to this problem. Please guide me in this regard. Thank you.. __**_ Wien mailing list Wien at zeus.theochem.tuwien.ac.**at Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wienhttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- --**--- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at --**--- __**_ Wien mailing list Wien at zeus.theochem.tuwien.ac.**at Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wienhttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120929/a399f0ae/attachment.htm
[Wien] an unknown error
Respected Group Members hello. I re-installed wien2k version 8 on a machine of type Dell Core I5 Desktop with operating system FEDORA17 (64 BIT) , fortran compiler l_fcompxe_2013.0.079. when i start OPT then i found error on clicking 'x sgroup' in initialization, and the error is /home/WIEN2K/w2k8/sgroup: Command not found. /home/WIEN2K/w2k8/sgroup: Command not found. diff: OPT.outputsgroup: No such file or directory diff: OPT.outputsgroup1: No such file or directory /home/WIEN2K/w2k8/sgroup: Command not found. 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/WIEN2K/w2k8/sgroup -wi OPT.struct -wo OPT.struct_sgroup -set-TOL=0.1 failed I am unable to find the reason and solution to this problem. Please guide me in this regard. Thank you.. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120918/816efa19/attachment.htm
[Wien] an unknown error
Did you reinstall wien2k in /home/WIEN2K/w2k8/ or another directory? If another directory, you probably need to adjust the wien2k location for your environment (.bashrc). Does sgroup work in a terminal? If it does, but not in w2web, then you may need to kill and restart w2web. Where there any error messages after you compiled? Open the compile.msg log in a text editor and look for any error messages (/home/WIEN2K/w2k8/SRC_sgroup/compile.msg). On 9/18/2012 2:39 AM, Muhammad Sajjad wrote: Respected Group Members hello. I re-installed wien2k version 8 on a machine of type Dell Core I5 Desktop with operating system FEDORA17 (64 BIT) , fortran compiler l_fcompxe_2013.0.079. when i start OPT then i found error on clicking 'x sgroup' in initialization, and the error is /home/WIEN2K/w2k8/sgroup: Command not found. /home/WIEN2K/w2k8/sgroup: Command not found. diff: OPT.outputsgroup: No such file or directory diff: OPT.outputsgroup1: No such file or directory /home/WIEN2K/w2k8/sgroup: Command not found. 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/WIEN2K/w2k8/sgroup -wi OPT.struct -wo OPT.struct_sgroup -set-TOL=0.1 failed I am unable to find the reason and solution to this problem. Please guide me in this regard. Thank you.. ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120918/aef19dad/attachment.htm
