[Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U
Axel Kohlmeyer
akohlmey at cmm.chem.upenn.edu
Mon May 25 17:51:55 CEST 2009
On Mon, 2009-05-25 at 15:48 +0100, pc229 at kent.ac.uk wrote:
> I do apologize,
> I made a mistake when I paste the string that I use to compile it.
> Anyway I tried both the static and the dynamics compilation using
> either this string
>
> and the output is :
>
>
> and
> ifort -o resp_mat.x resp_mat.f90 \
> -L/opt/intel/mkl/10.1.2.024/lib/32 -lmkl_lapack64 -lmkl -lguide
> -lpthread
why suddenly use now -lmkl_lapack64 ???
there is not libmkl_lapack64.so in the 32bit version of mkl.
it should work with plain -lmkl_lapack
cheers,
axel.
> I cannot manage this problem. If it doesn't matter, can you please
> send me, privately, your compiled version? I am struggling a lot.
> Thank you, Piero
_please_ rather then doing random stuff that does not make sense,
spend some time reading the MKL documentation. it is quite detailed,
useful and explains _everything_ about linking MKL dynamically and
statically. you have to keep in mind that the linux linker always
prefers shared libraries (.so) over static libraries. you should
also see from the documentation that the static version or lapack
is already included in libmkl_ia32.a. in conclusion: either link with
-openmp -lmkl_lapack -lmkl
or
-i-static -openmp -lmkl_ia32
or
-lmkl_lapack -lmkl_intel -lmkl_sequential -lmkl_core
cheers,
axel.
> ----- Original Message -----
> From: Gabriele Sclauzero <sclauzer at sissa.it>
> Date: Monday, May 25, 2009 3:18 pm
> Subject: Re: [Pw_forum] Difficulties compiling comp_resp_mat.j to
> optimize the U
> To: PWSCF Forum <pw_forum at pwscf.org>
>
> > I thought Axel already replied to this post...
> >
> > Pieremanuele Canepa wrote:
> > > Dear all,
> > > I'm trying to compile the comp_resp_mat.j concerning the
> > DFT+U. Then, I
> > > tried to use the default settings (ifort-o r.x resp_mat.f90
> > > -L/soft/local/intel/mkl72/lib/32 -lmkl_lapack \ -lmkl_ia32 -
> > lguide
> > > -lpthread) and what I got, is reported below. Do you have any
> > suggestions?> Probably I am making some stupid mistake.
> > have somebody already
> > > compiled this program on 32 bit machine?
> > > I don't have any experience compiling with lapack libraries as
> > you can
> > > probably realize.
> > > Cheers, Piero
> >
> > I don't understand if you're trying to link against mkl 7.2 or
> > 10.1. Do you know at least
> > which version is installed on your machine and where? Try to
> > find out this first.
> >
> > On my 32 bit Intel machine I've got MKL 9.0 installed in
> > /usr/local/intel_mkl_90/ and this
> > compilation command works (for static linking):
> >
> > ifort -o resp_mat.x resp_mat.f90 \
> > -L"/usr/local/intel_mkl_90/lib/32" -
> > lmkl_lapack -lmkl_ia32 -lguide -lpthread
> >
> > ldd resp_mat.x
> > linux-gate.so.1
> > => (0x00af3000)
> > libguide.so =>
> > /usr/local/intel_mkl_90/lib/32/libguide.so (0x00a55000)
> > libm.so.6 =>
> > /lib/libm.so.6 (0x00aa4000)
> > libc.so.6 =>
> > /lib/libc.so.6 (0x00111000)
> > libgcc_s.so.1
> > => /lib/libgcc_s.so.1 (0x00d4c000)
> > libdl.so.2 =>
> > /lib/libdl.so.2 (0x00acd000)
> > libpthread.so.0
> > => /lib/libpthread.so.0 (0x00ad3000)
> > /lib/ld-
> > linux.so.2 (0x00941000)
> >
> >
> > If you want to link dynamically use:
> >
> > ifort -o resp_mat.x resp_mat.f90 \
> > -L"/usr/local/intel_mkl_90/lib/32" -
> > lmkl_lapack64 -lmkl -lguide -lpthread
> >
> > ldd resp_mat.x
> > linux-gate.so.1
> > => (0x00741000)
> >
> > libmkl_lapack64.so =>
> > /usr/local/intel_mkl_90/lib/32/libmkl_lapack64.so (0x00c32000)
> > libmkl.so =>
> > /usr/local/intel_mkl_90/lib/32/libmkl.so (0x00eba000)
> > libguide.so =>
> > /usr/local/intel_mkl_90/lib/32/libguide.so (0x00111000)
> > libpthread.so.0
> > => /lib/libpthread.so.0 (0x00ad3000)
> > libm.so.6 =>
> > /lib/libm.so.6 (0x00aa4000)
> > libc.so.6 =>
> > /lib/libc.so.6 (0x0095f000)
> > libgcc_s.so.1
> > => /lib/libgcc_s.so.1 (0x0015e000)
> > libdl.so.2 =>
> > /lib/libdl.so.2 (0x00acd000)
> > /lib/ld-
> > linux.so.2 (0x00941000)
> >
> > Obviously you must change the path to the exact location of your
> > MKL installation
> >
> >
> > HTH
> >
> > GS
> >
> >
> > >
> > > resp_mat.f90(92): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(93): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(119): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(188): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(235): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(235): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(235): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(235): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(252): (col. 10) remark: PERMUTED LOOP WAS VECTORIZED.
> > > resp_mat.f90(265): (col. 16) remark: PERMUTED LOOP WAS VECTORIZED.
> > > resp_mat.f90(322): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(339): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(365): (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(377): (col. 7) remark: LOOP WAS VECTORIZED.
> > > resp_mat.f90(483): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(483): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(483): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(483): (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> > > resp_mat.f90(500): (col. 10) remark: PERMUTED LOOP WAS VECTORIZED.
> > > resp_mat.f90(513): (col. 16) remark: PERMUTED LOOP WAS VECTORIZED.
> > > /tmp/ifortMUANg9.o: In function `invmat_.':
> > > resp_mat.f90:(.text+0x9c33): undefined reference to `dcopy_'
> > > resp_mat.f90:(.text+0x9c4a): undefined reference to `dgetrf_'
> > > resp_mat.f90:(.text+0x9c6a): undefined reference to `dgetri_'
> > > /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so
> > > <http://10.1.2.20/lib/32/libmkl_lapack.so>: undefined
> > reference to
> > > `mkl_pds_c_blklu_unsym_omp_pardiso'
> > > /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so
> > > <http://10.1.2.20/lib/32/libmkl_lapack.so>: undefined
> > reference to
> > > `mkl_lapack_cpptrs'
> > > /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so
> > > <http://10.1.2.20/lib/32/libmkl_lapack.so>: undefined
> > reference to
> > > `mkl_serv_strcat2'
> > > /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so
> > > <http://10.1.2.20/lib/32/libmkl_lapack.so>: undefined
> > reference to
> > > `mkl_pds_blklu_omp_pardiso'
> > > and so on
> > > --
> > > Pieremanuele Canepa
> > > Room 230
> > > School of Physical Sciences, Ingram Building,
> > > University of Kent, Canterbury, Kent,
> > > CT2 7NH
> > > United Kingdom
> > > -----------------------------------------------------------
> > >
> > >
> > > ---------------------------------------------------------------
> > ---------
> > >
> > > _______________________________________________
> > > Pw_forum mailing list
> > > Pw_forum at pwscf.org
> > > http://www.democritos.it/mailman/listinfo/pw_forum
> >
> > --
> >
> >
> > o ------------------------------------------------ o
> > | Gabriele Sclauzero, PhD
> > Student |
> > | c/o: SISSA & CNR-INFM
> > Democritos, |
> > | via Beirut 2-4,
> > 34014 Trieste (Italy) |
> > | email:
> > sclauzer at sissa.it |
> > | phone: +39 040 3787
> > 511 |
> > | skype:
> > gurlonotturno |
> > o ------------------------------------------------ o
> > _______________________________________________
> > Pw_forum mailing list
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> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
> ---
> Pieremanuele Canepa
> Room 230
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
--
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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