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<DIV>Dear L. Marks and all wien2k users,</DIV>
<DIV> Thank you for your response and suggestions. </DIV>
<DIV> 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.</DIV>
<DIV style="TEXT-INDENT: 2em">Thank you again for all your help and to all who
paid attention to my problems!</DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV> </DIV>
<DIV>>It looks like all the problems you are seeing are because you have an</DIV>
<DIV>>obsolete set of vector routines in your ifort compiler. Two solutions:</DIV>
<DIV></DIV>
<DIV>>a) Update your compiler (recommended). You have version 9.1 whereas</DIV>
<DIV>>the latest ifort is version 12.X</DIV>
<DIV>>b) Remove the "-DINTEL_VML" from your compilation options (in the file</DIV>
<DIV>>OPTIONS in $WIENROOT). You will need to go into siteconfig and change</DIV>
<DIV>>the compilation options so this goes to all the Makefile routines. You</DIV>
<DIV>>should then be able to compile lapw1/mixer/etc . They will be a bit</DIV>
<DIV>>slower, but should work.</DIV>
<DIV></DIV>
<DIV>>N.B., you cannot replace files in mixer with older versions as they do</DIV>
<DIV>>not exist! The mixer in 11.1 is quite different in some respects from</DIV>
<DIV>>earlier versions.</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>
<DIV>>-- </DIV>
<DIV>>Laurence Marks</DIV>
<DIV>>Department of Materials Science and Engineering</DIV>
<DIV>>MSE Rm 2036 Cook Hall</DIV>
<DIV>>2220 N Campus Drive</DIV>
<DIV>>Northwestern University</DIV>
<DIV>>Evanston, IL 60208, USA</DIV>
<DIV>>Tel: (847) 491-3996 Fax: (847) 491-7820</DIV>
<DIV>>email: L-marks at northwestern dot edu</DIV>
<DIV>>Web: www.numis.northwestern.edu</DIV>
<DIV>>Chair, Commission on Electron Crystallography of IUCR</DIV>
<DIV>>www.numis.northwestern.edu/</DIV>
<DIV>>Research is to see what everybody else has seen, and to think what</DIV>
<DIV>>nobody else has thought</DIV>
<DIV>>Albert Szent-Gyorgi</DIV></FONT></DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV align=left><FONT face=Verdana color=#c0c0c0 size=2>2011-05-03
</FONT></DIV><FONT face=Verdana size=2>
<HR style="WIDTH: 122px; HEIGHT: 2px" align=left SIZE=2>
PhD. candidate Zhen Chen
<DIV>
<DIV>------------------------------</DIV>
<DIV>
<DIV>Beijing Laboratory of Electron Microscopy </DIV>
<DIV>Institute of Physics </DIV>
<DIV>Chinese Academy of Sciences</DIV>
<DIV>P. O. Box 603 </DIV>
<DIV>Beijing 100190, China</DIV>
<DIV>Tel: 86-10-82648001</DIV>
<DIV> zchen@blem.ac.cn</DIV></DIV></DIV></FONT></BODY></HTML>