<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear Marks,</div><div>Thank you very much for your quick answer.<br></div><div>I run<br></div><div>find /opt/intel -name <a target="_blank" href="http://mkl_vml.fi/">mkl_vml.fi <br></a></div><div>then <br></div><div>/opt/intel/mkl/8.0.1/include/mkl_vml.fi <br></div><div>I check it and the file is present.</div><div><br></div><span style="font-style: italic;">If you do not have the file it wants, copy W2kinit.F to W2kinit.F_old</span><br style="font-style: italic;"><span style="font-style: italic;">and replace it with the attached in SRC_lapw[0-2], SRC_mixer and</span><br style="font-style: italic;"><span style="font-style: italic;">SRC_vecpratt. I think this should be safe, but please confirm that</span><br style="font-style: italic;"><span style="font-style: italic;">everything runs.<br><br></span><div>Do you mean replace
the file W2kinit.F in /proc/3300/cwd with W2kinit.F in SRC_lapw[0-2], SRC_mixer and SRC_vecpratt?</div><div><a target="_blank" href="http://mkl_vml.fi/"><span style="text-decoration: underline;"><span style="color: rgb(0, 0, 0);"><br></span></span></a></div> <div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"> <div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight: bold;">From:</span></b> Laurence Marks <L-marks@northwestern.edu><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Thursday, December 8, 2011 10:55 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')<br> </font> <br>
Please try<br><br>find /opt/intel -name <a target="_blank" href="http://mkl_vml.fi">mkl_vml.fi</a><br><br>I think the file is not present on your system, and the call to<br>vmlsetmode is not present in your older version of ifort. Checking one<br>of my computers it looks like it is in cmkl for version 9.1, i.e. at<br><br>/opt/intel/cmkl/9.1.023/include/mkl_vml.fi<br><br>If you do not have the file it wants, copy W2kinit.F to W2kinit.F_old<br>and replace it with the attached in SRC_lapw[0-2], SRC_mixer and<br>SRC_vecpratt. I think this should be safe, but please confirm that<br>everything runs.<br><br>Or...update your compiler (but check the many recent emails about<br>which release of 12 to use).<br><br>2011/12/8 W Hx <<a ymailto="mailto:kingslaywhx@yahoo.com" href="mailto:kingslaywhx@yahoo.com">kingslaywhx@yahoo.com</a>>:<br>> Dear users,<br>><br>> I tried to compile WIEN2k_11 on my computer(Red Hat Enterprise 6.1), but the<br>>
following error appears:<br>> W2kinit.F: COMPLEX version extracted<br>> ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -c<br>> W2kinit_tmp_.F<br>> fortcom: Error: W2kinit_tmp_.F, line 28: Cannot open include file<br>> 'mkl_vml.fi'<br>> include 'mkl_vml.fi'<br>> ---------------^<br>> compilation aborted for W2kinit_tmp_.F (code 1)<br>> make[1]: *** [W2kinit.o] error 1<br>> make[1]: Leaving directory `/home/whx/Wien2k/SRC_lapw1'<br>> make: *** [complex] error 2<br>><br>> For that I<br>> source /opt/intel/mkl/8.0.1/tools/environment/mklvarsem64t.sh<br>> and recompile, but the same errors appeared. I searched the error in<br>> mailing-list, there are no other suggestions. I really appreciate any<br>> help and advice. If you need additional information on my<br>> compilation options, please let me know.<br>><br>> In addition .bashrc
file:<br>><br>> PATH="/opt/intel/fce/9.0/bin:$PATH"<br>> PATH="/opt/intel/idbe/9.0/bin:$PATH"<br>> export<br>> PATH<br>> #<br>> LD_LIBRARY_PATH="/opt/intel/fce/9.0/lib:$LD_LIBRARY_PATH"<br>> LD_LIBRARY_PATH="/opt/intel/mkl/8.0.1/lib/em64t:$LD_LIBRARY_PATH"<br>> export<br>> LD_LIBRARY_PATH<br>> #<br>> MANPATH="/opt/intel/fce/9.0/man:${MANPATH}"<br>> MANPATH="/opt/intel/idbe/9.0/man:${MANPATH}"<br>> export MANPATH<br>> #<br>> INCLUDE="/opt/intel/mkl/8.0.1/include":$INCLUDE<br>> export INCLUDE<br>> #<br>> INTEL_LICENSE_FILE="/opt/intel/licenses"<br>> export INTEL_LICENSE_FILE<br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>><br><br><br><br>-- <br>Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a target="_blank" href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>"Research is to see what everybody else has seen, and to think what<br>nobody else has thought"<br>Albert Szent-Gyorgi<br><br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </div></body></html>