Hi, And, I complied with -traceback option. OPTIONS file of WIEN2k complie is
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback current:FPOPT:$(FOPT) current:LDFLAGS:$(FOPT) -L/opt/intel/lib/intel64 -pthread -i-static current:DPARALLEL:'-DParallel' current:R_LIBS:-L/opt/intel/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -Wl,--end-group -openmp -lpthread current:RP_LIBS:-lmkl_scalapack -lmkl_blacs_lp64 -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS) current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ Adding -traceback didn't return any useful information. On Thu, Dec 2, 2010 at 9:16 PM, Maxim Rakitin <rms85 at physics.susu.ac.ru>wrote: > Dear Laurence and Hamid, > > I also had such type of problem a week ago. I have these messages on lstart > phase of initialization: > echo -e "13\n-7.0" | x lstart > > SELECT XCPOT: > recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96) > 5: LSDA > 11: WC-GGA (Wu-Cohen 2006) > 19: PBEsol-GGA (Perdew etal. 2008) > SELECT ENERGY to separate core and valence states: > recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere) > ALTERNATIVELY: specify charge localization > (between 0.97 and 1.0) to select core state > forrtl: severe (193): Run-Time Check Failure. The variable 'insld_$DVC' is > being used without being defined > > Image PC Routine Line Source > lstart 00000000004C787A Unknown Unknown Unknown > lstart 00000000004C63F5 Unknown Unknown Unknown > lstart 000000000047E006 Unknown Unknown Unknown > lstart 000000000044BDF5 Unknown Unknown Unknown > lstart 000000000044C8A8 Unknown Unknown Unknown > lstart 000000000040CC6A insld_ 57 insld.f > lstart 0000000000422C56 MAIN__ 136 > lstart.f > lstart 000000000040341C Unknown Unknown Unknown > libc.so.6 00002B34DAEF9B7D Unknown Unknown Unknown > lstart 0000000000403319 Unknown Unknown Unknown > 0.000u 0.000s 0:00.00 0.0% 0+0k 0+56io 0pf+0w > error: command /usr/local/wien2k/lstart lstart.def failed > > In my case I compiled lstart using Intel Composer software (ifort 12.0) > with the following options: > -FR -mp1 -w -prec_div -pc80 -pad -align -ip -DINTEL_VML -O3 -xHost -C -g > -traceback > > The -traceback option doesn't return all necessary info, so -C and -g > options give more details. I haven't found the reason of the error and > decided to use ifort 11 instead. In this case there are no error messages. > > Best regards, > Maxim Rakitin > South Ural State University > Chelyabinsk, Russia > email: rms85 at physics.susu.ac.ru > web: http://www.susu.ac.ru > > > 02.12.2010 21:57, Laurence Marks ?????: > > 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 >>> >>> >>> >> >> _______________________________________________ > 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 <http://www.respinar.com>mobile: *+98(914)4132419* -------------- next part -------------- An HTML attachment was scrubbed... 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