[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Masoud Nahali]

Dear Paolo and QE Users

I am writing since maybe it is useful for others; I replaced the MKL
(10.2.3.029) by MKL (10.3.4.191, version of 2011.4.19) and got rid of the
error. Now, all examples run well.


Best Wishes

 Masoud



--
Masoud Nahali, Sharif University of Technology
masoud.nahali at gmail.com;
alum.sharif.edu/~m_nahali

P Please don't print this e-mail unless you really need to.




> On Fri, 2011-07-01 at 13:56 +0430, Masoud Nahali wrote:
>
>
> >  In all tries both QE (4.2) and QE(4.3.1) compiles well but QE (4.3.1)
> > could not find shared libraries such as libmkl_intel_lp64.so and stopped
>
> once again: it is a problem of your software setup, not of QE.
> You should put in your .basrch, .profile, .cshrc, .whatever,
> the correct initialization for MKL libraries. What you have
> is either not correct or not executed when it is needed.
>
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
>
>
>
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[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Stefano Baroni]

Masoud: we do appreciate your sharing the info. Thanks. Best regards - SB

On Jul 2, 2011, at 4:43 PM, Masoud Nahali wrote:

> 
> 
> Dear Paolo and QE Users
> 
> I am writing since maybe it is useful for others; I replaced the MKL 
> (10.2.3.029) by MKL (10.3.4.191, version of 2011.4.19) and got rid of the 
> error. Now, all examples run well. 
> 
> 
> Best Wishes
> 
>  Masoud
> 
> 
> 
> --
> Masoud Nahali, Sharif University of Technology
> masoud.nahali at gmail.com; alum.sharif.edu/~m_nahali
> P Please don't print this e-mail unless you really need to.
> 
> 
> 
> 
> 
> On Fri, 2011-07-01 at 13:56 +0430, Masoud Nahali wrote:
> 
> 
> >  In all tries both QE (4.2) and QE(4.3.1) compiles well but QE (4.3.1)
> > could not find shared libraries such as libmkl_intel_lp64.so and stopped
> 
> once again: it is a problem of your software setup, not of QE.
> You should put in your .basrch, .profile, .cshrc, .whatever,
> the correct initialization for MKL libraries. What you have
> is either not correct or not executed when it is needed.
> 
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
> 
> 
> 
> 
> 
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni 
(skype)

La morale est une logique de l'action comme la logique est une morale de la 
pens?e - Jean Piaget

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



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[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Masoud Nahali]

Dear Paolo

Thanks for your reply; it is the results of list dynamic dependencies
command for pw.x binary of QE (4.2) and QE (4.3.1) :

*looki at looki:~$ ldd /home/looki/QE4.3.1/QE/bin/pw.x*

linux-vdso.so.1 =>  (0x7fff489e2000)
libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x7fe662b13000)
libmkl_intel_lp64.so => not found
libmkl_sequential.so => not found
libmkl_core.so => not found
libmpi_f90.so.0 => /usr/lib/libmpi_f90.so.0 (0x7fe66290e000)
libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x7fe6626d5000)
libmpi.so.0 => /usr/lib/libmpi.so.0 (0x7fe662425000)
libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x7fe6621d9000)
libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x7fe661f64000)
libdl.so.2 => /lib/libdl.so.2 (0x7fe661d6)
libnsl.so.1 => /lib/libnsl.so.1 (0x7fe661b46000)
libutil.so.1 => /lib/libutil.so.1 (0x7fe661942000)
libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x7fe661655000)
libm.so.6 => /lib/libm.so.6 (0x7fe6613d2000)
libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x7fe6611ba000)
libpthread.so.0 => /lib/libpthread.so.0 (0x7fe660f9d000)
libc.so.6 => /lib/libc.so.6 (0x7fe660c1a000)
/lib64/ld-linux-x86-64.so.2 (0x7fe662e3)

*looki at looki:~$ ldd /home/looki/QE4.2/QE/bin/pw.x *

linux-vdso.so.1 =>  (0x7fff61dff000)
libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x7f4ae2c3f000)
libblas.so.3gf => /usr/lib/atlas/libblas.so.3gf (0x7f4ae22a4000)
libmpi_f90.so.0 => /usr/lib/libmpi_f90.so.0 (0x7f4ae209f000)
libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x7f4ae1e67000)
libmpi.so.0 => /usr/lib/libmpi.so.0 (0x7f4ae1bb7000)
libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x7f4ae196a000)
libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x7f4ae16f6000)
libdl.so.2 => /lib/libdl.so.2 (0x7f4ae14f2000)
libnsl.so.1 => /lib/libnsl.so.1 (0x7f4ae12d7000)
libutil.so.1 => /lib/libutil.so.1 (0x7f4ae10d4000)
libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x7f4ae0de7000)
libm.so.6 => /lib/libm.so.6 (0x7f4ae0b63000)
libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x7f4ae094c000)
libpthread.so.0 => /lib/libpthread.so.0 (0x7f4ae072f000)
libc.so.6 => /lib/libc.so.6 (0x7f4ae03ab000)
/lib64/ld-linux-x86-64.so.2 (0x7f4ae2f5c000)


   Although the exact path of MKL libraries was included in .bashrc file, as
it is shown "libmkl_intel_lp64.so" and some other *.so files were not found
by QE (4.3.1).  In addition, I have copied the library files to /usr/lib and
for a test the code was configured with including the path of library
directory by LIBDIR. In all tries both QE (4.2) and QE(4.3.1) compiles well
but QE (4.3.1) could not find shared libraries such as libmkl_intel_lp64.so
and stopped. I appreciate your help in advance.


Best Wishes

 Masoud



--
Masoud Nahali, Sharif University of Technology
masoud.nahali at gmail.com;
alum.sharif.edu/~m_nahali

P Please don't print this e-mail unless you really need to.


> On Fri, 2011-07-01 at 03:08 +0430, Masoud Nahali wrote:
>
> > The MKL libraries path was exactly included in the .bashrc file,
> >   ...] I can run all examples of QE (version 4.2) successfully and for
> > the 4.3 and 4.3.1 ones I get the error while loading shared libraries:
> > libmkl_intel_lp64.so: cannot open shared object file: No such file or
> > directory. It is strange for me what makes such difference.
>


On Fri, Jul 1, 2011 at 11:48 AM, Paolo Giannozzi wrote:

 if I remember correctly, v.4.2 was linking *.a (static) mkl libraries,
> while v 4.3 links *.so (shared) libraries, by default. You can verify
> this using "ldd executable-file-name". If a compiled code doesn't
> find shared libraries, there is something incorrect in your init files.
>
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
>
>
>
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[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Paolo Giannozzi]

On Fri, 2011-07-01 at 13:56 +0430, Masoud Nahali wrote:


>  In all tries both QE (4.2) and QE(4.3.1) compiles well but QE (4.3.1)
> could not find shared libraries such as libmkl_intel_lp64.so and stopped

once again: it is a problem of your software setup, not of QE.
You should put in your .basrch, .profile, .cshrc, .whatever,
the correct initialization for MKL libraries. What you have
is either not correct or not executed when it is needed. 

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Paolo Giannozzi]

On Fri, 2011-07-01 at 03:08 +0430, Masoud Nahali wrote:

> The MKL libraries path was exactly included in the .bashrc file,
>   ...] I can run all examples of QE (version 4.2) successfully and for
> the 4.3 and 4.3.1 ones I get the error while loading shared libraries:
> libmkl_intel_lp64.so: cannot open shared object file: No such file or
> directory. It is strange for me what makes such difference. 

if I remember correctly, v.4.2 was linking *.a (static) mkl libraries,
while v 4.3 links *.so (shared) libraries, by default. You can verify
this using "ldd executable-file-name". If a compiled code doesn't
find shared libraries, there is something incorrect in your init files.

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

[Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

[Masoud Nahali]

Dear Quantum Espresso Users

In QE (version 4.2) the code read and open shared objects without any error
but in QE (version 4.3 and 4.3.1) the code cannot open libmkl_intel_lp64.so
file and so I cannot run the examples of QE successfully.
The MKL libraries path was exactly included in the .bashrc file,  mpif90
works well, and all versions were compiled without any error. The versions
were configured by "./configure MPIF90=mpif90 F77=gfortran" and then made.
But, only I can run all examples of QE (version 4.2) successfully and for
the 4.3 and 4.3.1 ones I get the error while loading shared libraries:
libmkl_intel_lp64.so: cannot open shared object file: No such file or
directory. It is strange for me what makes such difference.
Thank you for your help in advance. I appreciate the answers.


Best Wishes

 Masoud



--
Masoud Nahali, Sharif University of Technology
masoud.nahali at gmail.com;
alum.sharif.edu/~m_nahali

P Please don't print this e-mail unless you really need to.
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