[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')
W Hx
kingslaywhx at yahoo.com
Fri Dec 9 13:45:54 CET 2011
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-marks at 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月 17 2005 /opt/intel/mkl/8.0.1/include/mkl_vml.fi
>/opt/intel/mkl/8.0.1/include:
>总用量 1668
>-r--r--r--. 1 root root 9750 11月 17 2005 fftw3.h
>-r--r--r--. 1 root root 63342 11月 17 2005 mkl_blas.f90
>-r--r--r--. 1 root root 7118 11月 17 2005 mkl_blas.fi
>-r--r--r--. 1 root root 36157 11月 17 2005 mkl_blas.h
>-r--r--r--. 1 root root 36348 11月 17 2005 mkl_cblas.h
>-r--r--r--. 1 root root 25614 11月 17 2005 mkl_dfti.f90
>-r--r--r--. 1 root root 7527 11月 17 2005 mkl_dfti.h
>-r--r--r--. 1 root root 6651 11月 17 2005 mkl_dss.f77
>-r--r--r--. 1 root root 9650 11月 17 2005 mkl_dss.f90
>-r--r--r--. 1 root root 7577 11月 17 2005 mkl_dss.h
>-r--r--r--. 1 root root 3603 11月 17 2005 mkl_example.h
>-r--r--r--. 1 root root 4353 11月 17 2005 mkl_fft.h
>-r--r--r--. 1 root root 1622 11月 17 2005 mkl.fi
>-r--r--r--. 1 root root 1741 11月 17 2005 mkl.h
>-r--r--r--. 1 root root 38504 11月 17 2005 mkl_interval.f90
>-r--r--r--. 1 root root 482222 11月 17 2005 mkl_lapack.f90
>-r--r--r--. 1 root root 254723 11月 17 2005 mkl_lapack.fi
>-r--r--r--. 1 root root 367954 11月 17 2005 mkl_lapack.h
>-r--r--r--. 1 root root 1570 11月 17 2005 mkl_pardiso.f77
>-r--r--r--. 1 root root 3110 11月 17 2005 mkl_pardiso.f90
>-r--r--r--. 1 root root 2176 11月 17 2005 mkl_pardiso.h
>-r--r--r--. 1 root root 1610 11月 17 2005 mkl_rci.fi
>-r--r--r--. 1 root root 2632 11月 17 2005 mkl_rci.h
>-r--r--r--. 1 root root 1639 11月 17 2005 mkl_solver.f77
>-r--r--r--. 1 root root 1645 11月 17 2005 mkl_solver.f90
>-r--r--r--. 1 root root 1681 11月 17 2005 mkl_solver.h
>-r--r--r--. 1 root root 12038 11月 17 2005 mkl_spblas.fi
>-r--r--r--. 1 root root 10693 11月 17 2005 mkl_spblas.h
>-r--r--r--. 1 root root 2162 11月 17 2005 mkl_types.h
>-r--r--r--. 1 root root 6310 11月 17 2005 mkl_vml_defines.h
>-r--r--r--. 1 root root 26666 11月 17 2005 mkl_vml.fi
>-r--r--r--. 1 root root 18500 11月 17 2005 mkl_vml_functions.h
>-r--r--r--. 1 root root 1590 11月 17 2005 mkl_vml.h
>-r--r--r--. 1 root root 2561 11月 17 2005 mkl_vml_types.h
>-r--r--r--. 1 root root 17217 11月 17 2005 mkl_vsl_defines.h
>-r--r--r--. 1 root root 57582 11月 17 2005 mkl_vsl.fi
>-r--r--r--. 1 root root 28701 11月 17 2005 mkl_vsl_functions.h
>-r--r--r--. 1 root root 1535 11月 17 2005 mkl_vsl.h
>-r--r--r--. 1 root root 34798 11月 17 2005 mkl_vsl_subroutine.fi
>-r--r--r--. 1 root root 4939 11月 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
>
>
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