[Wien] Error message during scf calculation

Gavin Abo gsabo at crimson.ua.edu
Wed Mar 25 17:37:30 CET 2015


Have you tried adding "-I/opt/intel/composer_xe_2013.0.079/mkl/include" 
after $(FOPT) in the Linker Flags?

Also, see the post at the link:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10594.html

On 3/25/2015 7:43 AM, farouk boutaiba wrote:
> 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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