[Wien] newbie on the list and AMDOpteron64

[Peter Blaha]

Hi,
This sound a bit wearded and I'd expect some other reasons.

DOUBLE PRECISION   and REAL*8   should be identical (though the latter
is not a standard f90 notation).

Anyway, sx is also defined in coors.f as double precision and aparently
this does not hurt ?

Regards

> however, I could not manage to have lapw1 terminate correctly
> whatever the compile options with Intel Fortran 9.0 (fce)
> until  I changed the following line in TAPEWF routine :
> 
> 
> DOUBLE PRECISION SX,SY,SZ,WEIGHT
> 
> to
> 
> REAL *8 SX,SY,SZ,WEIGHT
> 
> (the same for SXHELP).
> 
> 
> indeed, in lapw2, those values  are reread as REAL*8
> 
> 
> 
> For information, my options (with MKL) are :
> 
> 
> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -i_dynamic
> -mcmodel=medium
> current:LDFLAGS:-L/opt/intel/fce/9.0/lib/ -L/opt/intel/mkl/8.0/lib/em64t
> -Vaxlib -i_dynamic -mcmodel=medium -lcxa -pthread -lunwind
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack -lmkl_em64t -lguide
> 
> 
> and compiler
> 
> /opt/intel/fce/9.0/bin/ifort
> 
> 
> The mcmodel and i_dynamic options are here to help use more than 2Gb of memory
> and
> I use dynamic libraries on the nodes.
> 
> 
> 
> 
> 
> -- 
> Florent Calvayrac  | Tel : 06 64 31 43 86  | Tel  : 02 43 83 26 26
> Directeur du SC Informatique Ressources Num.  de l'Universite du Maine
> Lab. de Physique de l'Etat Condense UMR-CNRS 6087 Inst. de Rech. en Ingenierie
> Molec. et Matx Fonctionnels  FR CNRS 2575
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> 


                                      P.Blaha
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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/
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