[Pw_forum] Difficulties compiling comp_resp_mat.j to optimize the U

pc229 at kent.ac.uk pc229 at kent.ac.uk
Mon May 25 16:48:54 CEST 2009


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

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.
ld: cannot find -lmkl_lapack64

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

----- 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                             |
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---
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building, 
University of Kent, Canterbury, Kent, 
CT2 7NH
United Kingdom


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