Add -traceback to the compile options (edit the Makefile for lstart), recompile, rerun and give the line number where there is a crash.
2010/12/2 Hamid Abbaszadeh <abbaszadeh.h at gmail.com>: > Hi, > > I complied WIEN2k10.1 in (new) Redhat EL6 with ifor 12.0 + mkl 10.3 without > any error or warring. > > But in TiC case, lstart return this > > Commandline: x lstart -up > Program input is: "13 -6.0 " > > SELECT XCPOT: > recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96) > 5: LSDA > 11: WC-GGA (Wu-Cohen 2006) > 19: PBEsol-GGA (Perdew etal. 2008) > SELECT ENERGY to separate core and valence states: > recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere) > ALTERNATIVELY: specify charge localization > (between 0.97 and 1.0) to select core state > forrtl: severe (71): integer divide by zero > Image PC Routine Line Source > lstart 00000000004A9608 Unknown Unknown Unknown > > Stack trace terminated abnormally. > 0.000u 0.002s 0:00.00 0.0% 0+0k 0+72io 0pf+0w > error: command /opt/WIEN2k/lstart uplstart.def failed > > What is wrong? > > > > On Fri, Nov 19, 2010 at 5:24 PM, C?sar de la Fuente <cesar at unizar.es> > wrote: >> >> It works. Thanks you.! >> >> -----Mensaje original----- >> De: wien-bounces at zeus.theochem.tuwien.ac.at >> [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] En nombre de Peter Blaha >> Enviado el: viernes, 19 de noviembre de 2010 14:46 >> Para: A Mailing list for WIEN2k users >> Asunto: Re: [Wien] wien2k flags for ifor 12.0 + mkl 10.3 ? >> >> > But, how you could fix the compilation error #5012 Cannot open include >> file >> > 'mkl_vml.fi' for the programs: lapw0, lapw1 and lapw2? >> >> You have to setup your environment properly by sourcing two setup files >> for >> compiler >> and mkl. >> I guess, siteconfig even recommends this to you, otherwise search the old >> mailinglist. >> >> >> > I've also found an additional compilation error probably because some >> > kind >> > of incompatibility between wien2k-10.1 and the new intel software: >> > >> > /opt/intel/composerxe-2011.0.084/bin/ia32/icc -c W2kutils.c >> > W2kutils.c(131): warning #167: argument of type "void (*)()" is >> incompatible >> > with parameter of type "__sighandler_t" >> > ? ? ? ? ? ? signal ( SIGINT, w2ksignal_int ); ?/* Interrupt */ >> >> Also this was discussed in the mailing list before, but probably is only a >> warning. >> >> >> -- >> >> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 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/ >> -------------------------------------------------------------------------- >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > -- > Hamid Abbaszadeh > website: www.respinar.com > email: info at respinar.com > mobile: +98(914)4132419 > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Electron crystallography is the branch of science that uses electron scattering and imaging to study the structure of matter.