Nobody can help with such little information. 2010/12/2 Hamid Abbaszadeh <abbaszadeh.h at gmail.com>: > 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 >> mobile: +98(914)4132419 > > > > -- > 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.
