No, last time?i find W2kinit.F?in system files?and?find it in /proc/3300/cwd. WIEN2K is put in /home/whx/wien2k?
From: Laurence Marks <l-ma...@northwestern.edu> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Friday, December 9, 2011 5:20 PM Subject: Re: [Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi') Did you put Wien2k in /proc? --------------------------- 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 On Dec 9, 2011 1:21 AM, "W Hx" <kingslaywhx at yahoo.com> wrote: 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 > > > >_______________________________________________ >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 -------------- next part -------------- An HTML attachment was scrubbed... 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