[Wien] Error message during scf calculation

farouk boutaiba boutaiba_f at yahoo.fr
Thu Mar 26 20:08:15 CET 2015


Thank sir, i have copied the two file mkl_vml.fi and mkl_vml.f90 in the directories lapw0, lapw1, lapw2, hf, mixer, and vecpratt, and the probleme is resolved.Thank you for your help.
 BOUTAIBA FaroukDepartement of PhysicsFaculty of ScienceUniversity of Science and Technology of OranP.O.Box:1505 El M'Naouer31000   OranAlgeria
 


     Le Jeudi 26 mars 2015 13h27, farouk boutaiba <boutaiba_f at yahoo.fr> a écrit :
   

 I have this message:! file: mkl_vmf.fithank you for your help.
 BOUTAIBA FaroukDepartment of PhysicsFaculty of ScienceUniversity of Science and Technology of OranP.O.Box: 1505 El M'Naouer31000 OranAlgeria
 


     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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