Hi, I found a solution to this problem by using -g option for lstart as below:
*-g -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML* and everything is OK in initialzing but now I have another problem in LAPW1: *error: command /opt/WIEN2k/lapw1 lapw1.def failed* Does anyone have a solution for this? On Thu, Dec 2, 2010 at 9:31 PM, Hamid Abbaszadeh <abbaszadeh.h at gmail.com>wrote: > 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* > > -- *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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