[Wien] Error message during scf calculation

[Pascal Boulet]

Hello,

This is document in the FAC on wien2k website. 

Two possibilities:
1- Either your mkl libraries do not have this file and you have to follow the recommandation in the FAC;
2- Or, for some reason this file exists (search it in mkl directories) but is not found when you build wien2k. This has happened to me recently. In this case, I have copied the mkl_vml.fi and the mkl_vml_f90 files in the directories where they are needed (lapw0, lapw1, lapw2, hf, mixer, vecpratt). This way, the compilation worked fine.

HTH
Pascal


Le 26 mars 2015 à 13:27, farouk boutaiba <boutaiba_f at yahoo.fr> a écrit :

> I have this message:
> ! file: mkl_vmf.fi
> thank you for your help.
> 
>  
> BOUTAIBA Farouk
> Department of Physics
> Faculty of Science
> University of Science and Technology of Oran
> P.O.Box: 1505 El M'Naouer
> 31000 Oran
> Algeria
> 
> 
> 
> 
> Le Mercredi 25 mars 2015 19h01, farouk boutaiba <boutaiba_f at yahoo.fr> a écrit :
> 
> 
> I have change -L to -I as you told me 
> "-I/opt/intel/composer_xe_2013.0.079/mkl/include" 
> after $(FOPT) in the Linker Flags, but after compilation i have the same message error.
> thank you sir
>  BOUTAIBA Farouk
>  Department of Physics
>  Faculty of Science
>  University of Science and Technology of Oran
>  P.O.Box: 1505 El M'Naouer
>  31000 Oran  Algeria 
> 
> 
> 
> 
> Le Mercredi 25 mars 2015 14h43, farouk boutaiba <boutaiba_f at yahoo.fr> a écrit :
> 
> 
> I have used wien2k 2014, but diring compilation a got these message:
> compilation aborted for W2kinit_tmp.F (code 1)
> make[1]: *** [W2kinit.o] Erreur 1
> make[1] : on quitte le répertoire « /root/wien2k_14/SRC_vecpratt »
> make: *** [real] Erreur 2
> 
> and after compilation i have this message:
> Compile time errors (if any) were:
> SRC_hf/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_hf/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw1/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_lapw2/compile.msg:W2kinit_tmp_.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_mixer/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_vecpratt/compile.msg:W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
> SRC_vecpratt/compile.msg:W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi' 
> Thank for your help
> 
>  BOUTAIBA Farouk
>  Department of Physics
>  Faculty of Science
>  University of Science and Technology of Oran
>  P.O.Box: 1505 El M'Naouer
>  31000 Oran  Algeria 
> 
>  
> 
> 
> 
> 
> 
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