[Pw_forum] 回复： Re: libmkl_intel_lp64 (QE 4.2 vs 4.3)

[hqzhou]

Masoud,

While you used generic BLAS/LAPACK libraries when you compiled your
qe 4.2, you were using MKL in compiling qe 4.3.1. But the compiler
never found where the MKL libraries are. How did you set the environment
for MKL? You should "source" the mklvarsem64t.sh in .bashrc or 
.bash_profile as below:

source /your ROOT of MKL installation/tools/environment/mklvarsem64t.sh

If your version of MKL is 11.1-073 and was installed in default directory, 
the sentence above should be:

source /opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvarsem64t.sh 

Hope this help you.

zhou huiqun
@earth sciences, nanjing university, china


----- 原始邮件 -----
发件人: Masoud Nahali <masoudnahali at gmail.com>
收件人: pw forum <pw_forum at pwscf.org>
已发送邮件: Fri, 01 Jul 2011 17:26:12 +0800 (CST)
主题: Re: [Pw_forum] libmkl_intel_lp64 (QE 4.2 vs 4.3)

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 =>  (0x00007fff489e2000)
    libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x00007fe662b13000)
    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 (0x00007fe66290e000)
    libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x00007fe6626d5000)
    libmpi.so.0 => /usr/lib/libmpi.so.0 (0x00007fe662425000)
    libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x00007fe6621d9000)
    libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x00007fe661f64000)
    libdl.so.2 => /lib/libdl.so.2 (0x00007fe661d60000)
    libnsl.so.1 => /lib/libnsl.so.1 (0x00007fe661b46000)
    libutil.so.1 => /lib/libutil.so.1 (0x00007fe661942000)
    libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00007fe661655000)
    libm.so.6 => /lib/libm.so.6 (0x00007fe6613d2000)
    libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00007fe6611ba000)
    libpthread.so.0 => /lib/libpthread.so.0 (0x00007fe660f9d000)
    libc.so.6 => /lib/libc.so.6 (0x00007fe660c1a000)
    /lib64/ld-linux-x86-64.so.2 (0x00007fe662e30000)

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

    linux-vdso.so.1 =>  (0x00007fff61dff000)
    libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x00007f4ae2c3f000)
    libblas.so.3gf => /usr/lib/atlas/libblas.so.3gf (0x00007f4ae22a4000)
    libmpi_f90.so.0 => /usr/lib/libmpi_f90.so.0 (0x00007f4ae209f000)
    libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x00007f4ae1e67000)
    libmpi.so.0 => /usr/lib/libmpi.so.0 (0x00007f4ae1bb7000)
    libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x00007f4ae196a000)
    libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x00007f4ae16f6000)
    libdl.so.2 => /lib/libdl.so.2 (0x00007f4ae14f2000)
    libnsl.so.1 => /lib/libnsl.so.1 (0x00007f4ae12d7000)
    libutil.so.1 => /lib/libutil.so.1 (0x00007f4ae10d4000)
    libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00007f4ae0de7000)
    libm.so.6 => /lib/libm.so.6 (0x00007f4ae0b63000)
    libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00007f4ae094c000)
    libpthread.so.0 => /lib/libpthread.so.0 (0x00007f4ae072f000)
    libc.so.6 => /lib/libc.so.6 (0x00007f4ae03ab000)
    /lib64/ld-linux-x86-64.so.2 (0x00007f4ae2f5c000)


   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<http://alum.sharif.edu/%7Em_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
>
>
>
>
>