[Wien] compile wien2k_11.1 in mkl8.1, fortcom error

ZhenChen zchen at blem.ac.cn
Mon May 9 03:00:39 CEST 2011


Dear L. Marks and all wien2k users,
    Thank you for your response and suggestions. 
    When I removed "-DINTEL_VML" option for all the Makefile routines as you suggested, the errors in lapw1 and mixer disappeared. But the same fortcom errors in lapw2 still exist. When I replaced the older c3fft subroutine, I finally compiled all compenents of the newest version successfully! Now, the newest version of wien2k can run smoothly in my machine.
Thank you again for all your help and to all who paid attention to my problems!




>It looks like all the problems you are seeing are because you have an
>obsolete set of vector routines in your ifort compiler. Two solutions:
>a) Update your compiler (recommended). You have version 9.1 whereas
>the latest ifort is version 12.X
>b) Remove the "-DINTEL_VML" from your compilation options (in the file
>OPTIONS in $WIENROOT). You will need to go into siteconfig and change
>the compilation options so this goes to all the Makefile routines. You
>should then be able to compile lapw1/mixer/etc . They will be a bit
>slower, but should work.
>N.B., you cannot replace files in mixer with older versions as they do
>not exist! The mixer in 11.1 is quite different in some respects from
>earlier versions.


>-- 
>Laurence Marks
>Department of Materials Science and Engineering
>MSE Rm 2036 Cook Hall
>2220 N Campus Drive
>Northwestern University
>Evanston, IL 60208, USA
>Tel: (847) 491-3996 Fax: (847) 491-7820
>email: L-marks at northwestern dot edu
>Web: www.numis.northwestern.edu
>Chair, Commission on Electron Crystallography of IUCR
>www.numis.northwestern.edu/
>Research is to see what everybody else has seen, and to think what
>nobody else has thought
>Albert Szent-Gyorgi

2011-05-03 


     PhD. candidate Zhen Chen 
------------------------------
Beijing Laboratory of Electron Microscopy 
Institute of Physics 
Chinese Academy of Sciences
P. O. Box 603 
Beijing 100190, China
Tel: 86-10-82648001
        zchen at blem.ac.cn
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