Dear Marks, I have tried and the following is the result. The result seems reasonable.? P.S.: I tried to compile WIN2K_08 version on the same computer, all are normal and compiled successfully.
[whx at localhost ~]$ source /opt/intel/mkl/8.0.1/tools/environment/mklvarsem64t.sh [whx at localhost ~]$ env | grep -e MKL -e INCLUDE INCLUDE=/opt/intel/mkl/8.0.1/include:/opt/intel/mkl/8.0.1/include: [whx at localhost ~]$ ls -l /opt/intel/mkl/8.0.1/include /opt/intel/mkl/8.0.1/include/mkl_vml.fi -r--r--r--. 1 root root 26666 11? 17 2005 /opt/intel/mkl/8.0.1/include/mkl_vml.fi /opt/intel/mkl/8.0.1/include: ??? 1668 -r--r--r--. 1 root root?? 9750 11? 17 2005 fftw3.h -r--r--r--. 1 root root? 63342 11? 17 2005 mkl_blas.f90 -r--r--r--. 1 root root?? 7118 11? 17 2005 mkl_blas.fi -r--r--r--. 1 root root? 36157 11? 17 2005 mkl_blas.h -r--r--r--. 1 root root? 36348 11? 17 2005 mkl_cblas.h -r--r--r--. 1 root root? 25614 11? 17 2005 mkl_dfti.f90 -r--r--r--. 1 root root?? 7527 11? 17 2005 mkl_dfti.h -r--r--r--. 1 root root?? 6651 11? 17 2005 mkl_dss.f77 -r--r--r--. 1 root root?? 9650 11? 17 2005 mkl_dss.f90 -r--r--r--. 1 root root?? 7577 11? 17 2005 mkl_dss.h -r--r--r--. 1 root root?? 3603 11? 17 2005 mkl_example.h -r--r--r--. 1 root root?? 4353 11? 17 2005 mkl_fft.h -r--r--r--. 1 root root?? 1622 11? 17 2005 mkl.fi -r--r--r--. 1 root root?? 1741 11? 17 2005 mkl.h -r--r--r--. 1 root root? 38504 11? 17 2005 mkl_interval.f90 -r--r--r--. 1 root root 482222 11? 17 2005 mkl_lapack.f90 -r--r--r--. 1 root root 254723 11? 17 2005 mkl_lapack.fi -r--r--r--. 1 root root 367954 11? 17 2005 mkl_lapack.h -r--r--r--. 1 root root?? 1570 11? 17 2005 mkl_pardiso.f77 -r--r--r--. 1 root root?? 3110 11? 17 2005 mkl_pardiso.f90 -r--r--r--. 1 root root?? 2176 11? 17 2005 mkl_pardiso.h -r--r--r--. 1 root root?? 1610 11? 17 2005 mkl_rci.fi -r--r--r--. 1 root root?? 2632 11? 17 2005 mkl_rci.h -r--r--r--. 1 root root?? 1639 11? 17 2005 mkl_solver.f77 -r--r--r--. 1 root root?? 1645 11? 17 2005 mkl_solver.f90 -r--r--r--. 1 root root?? 1681 11? 17 2005 mkl_solver.h -r--r--r--. 1 root root? 12038 11? 17 2005 mkl_spblas.fi -r--r--r--. 1 root root? 10693 11? 17 2005 mkl_spblas.h -r--r--r--. 1 root root?? 2162 11? 17 2005 mkl_types.h -r--r--r--. 1 root root?? 6310 11? 17 2005 mkl_vml_defines.h -r--r--r--. 1 root root? 26666 11? 17 2005 mkl_vml.fi -r--r--r--. 1 root root? 18500 11? 17 2005 mkl_vml_functions.h -r--r--r--. 1 root root?? 1590 11? 17 2005 mkl_vml.h -r--r--r--. 1 root root?? 2561 11? 17 2005 mkl_vml_types.h -r--r--r--. 1 root root? 17217 11? 17 2005 mkl_vsl_defines.h -r--r--r--. 1 root root? 57582 11? 17 2005 mkl_vsl.fi -r--r--r--. 1 root root? 28701 11? 17 2005 mkl_vsl_functions.h -r--r--r--. 1 root root?? 1535 11? 17 2005 mkl_vsl.h -r--r--r--. 1 root root? 34798 11? 17 2005 mkl_vsl_subroutine.fi -r--r--r--. 1 root root?? 4939 11? 17 2005 mkl_vsl_types.h ________________________________ From: Laurence Marks <L-marks at northwestern.edu> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Thursday, December 8, 2011 11:48 PM Subject: Re: [Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi') Let's hold on the replacement for the moment as you seem to have the file so something else is going wrong. Try source /opt/intel/mkl/8.0.1/tools/environment/mklvarsem64t.sh env | grep -e MKL -e INCLUDE Then see if INCLUDE is properly set to /opt/intel/mkl/8.0.1/include and ls -l /opt/intel/mkl/8.0.1/include /opt/intel/mkl/8.0.1/include/mkl_vml.fi to check that you have the correct permissions. N.B., did you install Wien2k in? /proc/3300/cwd ? This is a strange place to put it, and perhaps very dangerous as well as /proc is a system directory -- this might explain some things. A reasonable place is in /opt or /usr/local (assuming that you have root access). 2011/12/8 W Hx <kingslaywhx at yahoo.com>: > Dear Marks, > Thank you very much for your quick answer. > I run > find /opt/intel -name mkl_vml.fi > then > /opt/intel/mkl/8.0.1/include/mkl_vml.fi > I check it and the file is present. > > If you do not have the file it wants, copy W2kinit.F to W2kinit.F_old > and replace it with the attached in SRC_lapw[0-2], SRC_mixer and > SRC_vecpratt. I think this should be safe, but please confirm that > everything runs. > > 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? > > ________________________________ > From: Laurence Marks <L-marks at northwestern.edu> > To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> > Sent: Thursday, December 8, 2011 10:55 PM > Subject: Re: [Wien] WIEN2k_11 compilation problem(Cannot open include file > 'mkl_vml.fi') > > Please try > > find /opt/intel -name mkl_vml.fi > > I think the file is not present on your system, and the call to > vmlsetmode is not present in your older version of ifort. Checking one > of my computers it looks like it is in cmkl for version 9.1, i.e. at > > /opt/intel/cmkl/9.1.023/include/mkl_vml.fi > > If you do not have the file it wants, copy W2kinit.F to W2kinit.F_old > and replace it with the attached in SRC_lapw[0-2], SRC_mixer and > SRC_vecpratt. I think this should be safe, but please confirm that > everything runs. > > Or...update your compiler (but check the many recent emails about > which release of 12 to use). > > 2011/12/8 W Hx <kingslaywhx at yahoo.com>: >> Dear users, >> >> I tried to compile WIEN2k_11 on my computer(Red Hat Enterprise 6.1), but >> the >> following error appears: >> W2kinit.F: COMPLEX version extracted >> ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -c >> W2kinit_tmp_.F >> fortcom: Error: W2kinit_tmp_.F, line 28: Cannot open include file >> 'mkl_vml.fi' >>? ? ? ? include 'mkl_vml.fi' >> ---------------^ >> compilation aborted for W2kinit_tmp_.F (code 1) >> make[1]: *** [W2kinit.o] error 1 >> make[1]: Leaving directory `/home/whx/Wien2k/SRC_lapw1' >> make: *** [complex] error 2 >> >> For that I >> source /opt/intel/mkl/8.0.1/tools/environment/mklvarsem64t.sh >> and recompile, but the same errors appeared. I searched the error in >> mailing-list, there are no other suggestions. I really appreciate any >> ?help and advice. If you need additional information on my >> compilation options, please let me know. >> >> In addition .bashrc file: >> >> PATH="/opt/intel/fce/9.0/bin:$PATH" >> PATH="/opt/intel/idbe/9.0/bin:$PATH" >> export >>? PATH >> # >> LD_LIBRARY_PATH="/opt/intel/fce/9.0/lib:$LD_LIBRARY_PATH" >> LD_LIBRARY_PATH="/opt/intel/mkl/8.0.1/lib/em64t:$LD_LIBRARY_PATH" >> export >>? LD_LIBRARY_PATH >> # >> MANPATH="/opt/intel/fce/9.0/man:${MANPATH}" >> MANPATH="/opt/intel/idbe/9.0/man:${MANPATH}" >> export MANPATH >> # >> INCLUDE="/opt/intel/mkl/8.0.1/include":$INCLUDE >> export INCLUDE >> # >> INTEL_LICENSE_FILE="/opt/intel/licenses" >> export INTEL_LICENSE_FILE >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > > > > -- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu 1-847-491-3996 > "Research is to see what everybody else has seen, and to think what > nobody else has thought" > Albert Szent-Gyorgi > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... 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