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    I would recommend you use some other optimized library if you don't
    want/cannot buy mkl. Atlas
    <a class="moz-txt-link-rfc2396E" href="http://math-atlas.sourceforge.net/"><http://math-atlas.sourceforge.net/></a> are relatively
    straightforward to compile these days, use the --netlib-lapack-tgz
    option or whatever it is called now in order to get the full
    optimized lapack intefaces.<br>
    <br>
    Link QE as:<br>
    <br>
    BLAS_LIBS      =<br>
    BLAS_LIBS_SWITCH = external<br>
    ...<br>
    LAPACK_LIBS    =  -llapack -lf77blas -lcblas -latlas
    -L/wherever/you/put/them<br>
    LAPACK_LIBS_SWITCH = external<br>
    <br>
    <br>
    cheers<br>
    <br>
    <br>
    <div class="moz-cite-prefix">On 09/12/2014 04:30 PM, Mauro Sgroi
      wrote:<br>
    </div>
    <blockquote
cite="mid:CAHW1DxKO48hqHUNfrWTqYBuogEEMRfZYn7uFG6ns8yfyxv8SZA@mail.gmail.com"
      type="cite">
      <div dir="ltr">Dear Axel and Filippo,
        <div>thanks a lot for the suggestion. I'm not able to use mkl
          for many reasons: I work in a private research center, so I'm
          not sure that I can use the non-commercial intel products (and
          any case these days the intel server to download them is down,
          are they changing their licensing philosophy?). I can try to
          by MKL and the compilers, but it will be a long process.</div>
        <div><br>
        </div>
        <div>I was able to compile using gfortran and the -shared flag
          to compile <span
            style="color:rgb(80,0,80);font-family:arial,sans-serif;font-size:13px">phiGEMM
            (I modified the file GPU/install/make_</span><span
            style="color:rgb(80,0,80);font-family:arial,sans-serif;font-size:13px">phiGEMM.inc).</span></div>
        <div><span
            style="color:rgb(80,0,80);font-family:arial,sans-serif;font-size:13px">Then
            I was also able to linlk with openblas by manually modifying
            the make.sys file.</span></div>
        <div><font color="#500050" face="arial, sans-serif">I'm still
            not sure if to use the internal FFT library or if to link
            with a fftw3 library compiled by me.</font></div>
        <div><font color="#500050" face="arial, sans-serif"><br>
          </font></div>
        <div><font color="#500050" face="arial, sans-serif">Testing the
            code with 8 threads (I've 8 cores, is this correct?) I got
            the following worrisome error:</font></div>
        <div><font color="#500050" face="arial, sans-serif"><br>
          </font></div>
        <div><font color="#500050" face="arial, sans-serif">
            <div> WARNING: integrated charge=   173.15368500, expected=
                178.00000000</div>
            <div><br>
            </div>
            <div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
            <div>     Error in routine electrons (1):</div>
            <div>     charge is wrong</div>
            <div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
            <div><br>
            </div>
            <div>     stopping ...</div>
            <div>STOP 1</div>
            <div><br>
            </div>
            <div><br>
            </div>
            <div>The same inupt runs smoothly with the standard version
              of the code.</div>
            <div><br>
            </div>
            <div>Thanks a lot in advance and best regards,</div>
            <div>Mauro. </div>
          </font></div>
        <div><span
            style="color:rgb(80,0,80);font-family:arial,sans-serif;font-size:13px"><br>
          </span></div>
      </div>
      <div class="gmail_extra"><br>
        <div class="gmail_quote">2014-09-10 15:38 GMT+02:00 Axel
          Kohlmeyer <span dir="ltr"><<a moz-do-not-send="true"
              href="mailto:akohlmey@gmail.com" target="_blank">akohlmey@gmail.com</a>></span>:<br>
          <blockquote class="gmail_quote" style="margin:0 0 0
            .8ex;border-left:1px #ccc solid;padding-left:1ex"><span
              class="">On Wed, Sep 10, 2014 at 9:37 AM, Axel Kohlmeyer
              <<a moz-do-not-send="true"
                href="mailto:akohlmey@gmail.com">akohlmey@gmail.com</a>>
              wrote:<br>
              > On Wed, Sep 10, 2014 at 9:35 AM, Filippo Spiga <<a
                moz-do-not-send="true"
                href="mailto:spiga.filippo@gmail.com">spiga.filippo@gmail.com</a>>
              wrote:<br>
              >> Dear Mauro,<br>
              >><br>
              >> On Sep 8, 2014, at 9:47 AM, Mauro Sgroi <<a
                moz-do-not-send="true"
                href="mailto:maurofrancesco.sgroi@gmail.com">maurofrancesco.sgroi@gmail.com</a>>
              wrote:<br>
              >>> I'm using now gcc 4.4 wih the internal
              blas/lapack libraries, just to reduce the complexity of
              the problem.<br>
              >><br>
              >> Bus still, Intel MKL will give you best
              performance. It is worth the complexity, give it a try!<br>
              >><br>
              >><br>
              >>> I modified GPU/install/make_phiGEMM.inc to
              link with -lgfortran to solve some undefined reference
              errors.<br>
              >>> But now the compilation stops with an
              undefined reference to `main'.<br>
              >><br>
              >> uhm I will look at this, I do not see any problem
              on my local machine but I will double-check again.<br>
              ><br>
              > that would happen, if gcc is used as linker instead
              of gfortran (which<br>
              > would also explain the need of adding -lgfortran)<br>
              <br>
            </span>or when you try to link a shared library without the
            -shared flag.<br>
            <div class="HOEnZb">
              <div class="h5"><br>
                ><br>
                > axel.<br>
                ><br>
                ><br>
                >> F<br>
                >><br>
                >> --<br>
                >> Mr. Filippo SPIGA, M.Sc.<br>
                >> <a moz-do-not-send="true"
                  href="http://filippospiga.info" target="_blank">http://filippospiga.info</a>
                ~ skype: filippo.spiga<br>
                >><br>
                >> «Nobody will drive us out of Cantor's
                paradise.» ~ David Hilbert<br>
                >><br>
                >> *****<br>
                >> Disclaimer: "Please note this message and any
                attachments are CONFIDENTIAL and may be privileged or
                otherwise protected from disclosure. The contents are
                not to be disclosed to anyone other than the addressee.
                Unauthorized recipients are requested to preserve this
                confidentiality and to advise the sender immediately of
                any error in transmission."<br>
                >><br>
                >><br>
                >><br>
                >> _______________________________________________<br>
                >> Pw_forum mailing list<br>
                >> <a moz-do-not-send="true"
                  href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
                >> <a moz-do-not-send="true"
                  href="http://pwscf.org/mailman/listinfo/pw_forum"
                  target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
                ><br>
                ><br>
                ><br>
                > --<br>
                > Dr. Axel Kohlmeyer  <a moz-do-not-send="true"
                  href="mailto:akohlmey@gmail.com">akohlmey@gmail.com</a> 
                <a moz-do-not-send="true" href="http://goo.gl/1wk0"
                  target="_blank">http://goo.gl/1wk0</a><br>
                > College of Science & Technology, Temple
                University, Philadelphia PA, USA<br>
                > International Centre for Theoretical Physics,
                Trieste. Italy.<br>
                <br>
                <br>
                <br>
                --<br>
                Dr. Axel Kohlmeyer  <a moz-do-not-send="true"
                  href="mailto:akohlmey@gmail.com">akohlmey@gmail.com</a> 
                <a moz-do-not-send="true" href="http://goo.gl/1wk0"
                  target="_blank">http://goo.gl/1wk0</a><br>
                College of Science & Technology, Temple University,
                Philadelphia PA, USA<br>
                International Centre for Theoretical Physics, Trieste.
                Italy.<br>
                <br>
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                  href="http://pwscf.org/mailman/listinfo/pw_forum"
                  target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a></div>
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      <pre wrap="">_______________________________________________
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</pre>
    </blockquote>
    <br>
    <pre class="moz-signature" cols="72">-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
<a class="moz-txt-link-freetext" href="http://www.impmc.upmc.fr/~paulatto/">http://www.impmc.upmc.fr/~paulatto/</a>
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
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