[Wien] Segmentation fault in LAPW1

[Peter Blaha]

Have you tried the new default options which come with WIEN2k_8.2 ?

Dimitris Kechrakos schrieb:
> Dear all,
> 
> I have installed Wien2K_8.2 on an Intel(R) Core(TM)2 Quad  Q6600 @ 2.40GHz, 4GB RAM using 
> 
> system = K  [ ie Linux (Intel ifort 10.1 compiler + mkl 10.0 )] (installed ifort 10.1.012, mkl 10.0.1.0.14)
> and options :
>  O   Compiler options:        -FR -w -O3 -traceback
>  L   Linker Flags:            -L/opt/intel/fc/10.1.012/lib -lguide -lpthread
>  P   Preprocessor flags       ' '
>  R   R_LIB (LAPACK+BLAS):     -L/opt/intel/mkl/10.0.1.014/lib/32 
>                               -I/opt/intel/mkl/10.0.1.014/include -lmkl_lapack -lmkl_ia32 -lmkl_core -lm
> 
> No error message appeared during compilation and linking. (Checked all */compile.msg files !)
> 
> I tried the example TiC , but I get the following message:
>  
> -------------------------------------------------------------------------------
> 
> cd /home/dimitris/Research/lapw/TiC;run_lapw -cc 0.001 -NI 
>  LAPW0 END
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC        Routine            Line        Source             
> lapw1              085AECDD  Unknown               Unknown  Unknown
> .                  FFFFE440  Unknown               Unknown  Unknown
> lapw1              0805935B  calkpt_                   154  calkpt_tmp_.F
> lapw1              080780E6  MAIN__                     52  lapw1_tmp_.F
> lapw1              08053751  Unknown               Unknown  Unknown
> libc.so.6          40846FE0  Unknown               Unknown  Unknown
> lapw1              080536B1  Unknown               Unknown  Unknown
> 
>>   stop error
> 
> -------------------------------------------------------------------------------
> 
> Any suggestions appreciated !
> 
> DK
> 
> 
> ----------------------------------------------------------
> 
> Dr Dimitris Kechrakos
> Institute of Materials Science  
> National Center of Scientific Research "Demokritos"
> 153 10 - Agia Paraskevi
> Athens, GR
> tel:  +30-210-650 3337 
> fax:  +30-210-653 3872
> email: dkehrakos at ims.demokritos.gr, physengin at gmail.com
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       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/
--------------------------------------------------------------------------