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    Dear all,<br>
    <br>
    This seems to be solved by our system administrator.<br>
    He just made some space on the storage server.<br>
    <br>
    &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
    <br>
    On 10/10/2011 02:55 PM, &Eacute;ric Germaneau wrote:
    <blockquote cite="mid:4E933F98.40702@gucas.ac.cn" type="cite">
      <meta content="text/html; charset=ISO-8859-1"
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      Dear all,<br>
      <br>
      After recompiling QE 4.3.2 with ifort 9.1 and mkl 8.1.1 I got an
      other error :<br>
      <br>
      <font color="#ff0000">&nbsp;&nbsp;&nbsp;&nbsp; from davcio : error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 99<br>
        &nbsp;&nbsp;&nbsp;&nbsp; error while writing to file<br>
      </font><br>
      This looks so weird to me.<br>
      Thank you,<br>
      <br>
      &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
      <br>
      On 10/07/2011 12:18 PM, &Eacute;ric Germaneau wrote:
      <blockquote cite="mid:4E8F2668.7060303@gucas.ac.cn" type="cite">
        <meta content="text/html; charset=ISO-8859-1"
          http-equiv="Content-Type">
        Dear <font class="Apple-style-span" face="arial, sans-serif"><span
            class="Apple-style-span" style="border-collapse: collapse;">Sanjeev,<br>
            <br>
            Thank you for noticed it.<br>
            I've just ask to the administrator the compile it with
            ifort.<br>
            We'll see.<br>
            <br>
            &nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
          </span></font><br>
        On 10/06/2011 11:49 PM, Sanjeev Gupta wrote:
        <blockquote
cite="mid:CAB4TLPLumh3zZVpO3+-+L0zBKgu5mMNpwyr1-cRJgoeu6usyQA@mail.gmail.com"
          type="cite">Dear&nbsp;&Eacute;ric Germaneau
          <div><br>
          </div>
          <div>Please follow the recent link of &nbsp;"<span
              class="Apple-style-span" style="font-family: arial,
              sans-serif; font-size: 16px; border-collapse: collapse; ">problem


              in vc-relax", there is something same problem (If i
              understood correctly), Prof.&nbsp;</span><span
              class="Apple-style-span" style="font-family: arial,
              sans-serif; font-size: 13px; border-collapse: collapse;
              font-weight: bold; white-space: nowrap;
              -webkit-border-horizontal-spacing: 2px;
              -webkit-border-vertical-spacing: 2px; ">Paolo Giannozzi
              suggested that, this is&nbsp;</span><span
              class="Apple-style-span" style="font-family: arial,
              sans-serif; font-size: 13px; border-collapse: collapse; ">Gfortran

              problem.</span></div>
          <div><span class="Apple-style-span" style="font-family: arial,
              sans-serif; font-size: 13px; border-collapse: collapse; "><br>
            </span></div>
          <div><font class="Apple-style-span" face="arial, sans-serif"><span
                class="Apple-style-span" style="border-collapse:
                collapse;">Thanks</span></font></div>
          <div><font class="Apple-style-span" face="arial, sans-serif"><span
                class="Apple-style-span" style="border-collapse:
                collapse;"><br>
              </span></font></div>
          <div><font class="Apple-style-span" face="arial, sans-serif"><span
                class="Apple-style-span" style="border-collapse:
                collapse;">Sanjeev</span></font></div>
          <div><font class="Apple-style-span" face="arial, sans-serif"><span
                class="Apple-style-span" style="border-collapse:
                collapse;"><br>
              </span></font>
            <div><br>
              <div class="gmail_quote">2011/10/7 &Eacute;ric Germaneau <span
                  dir="ltr">&lt;<a moz-do-not-send="true"
                    href="mailto:germaneau@gucas.ac.cn">germaneau@gucas.ac.cn</a>&gt;</span><br>
                <blockquote class="gmail_quote" style="margin:0 0 0
                  .8ex;border-left:1px #ccc solid;padding-left:1ex;">
                  <div bgcolor="#CCCCFF" text="#330000"> Dear all,<br>
                    <br>
                    Can someone tell me the meaning of the error
                    <div class="im"><br>
                      <blockquote><font color="#ff0000">&nbsp;&nbsp;&nbsp;&nbsp; from calbec
                          : error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1</font><br>
                        <font color="#ff0000"> &nbsp;&nbsp;&nbsp;&nbsp; size mismatch</font><br>
                      </blockquote>
                    </div>
                    when running ph.x.<br>
                    <br>
                    Thank you,<br>
                    <br>
                    &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.
                    <div>
                      <div class="h5"><br>
                        <br>
                        On 10/05/2011 08:45 AM, &Eacute;ric Germaneau wrote: </div>
                    </div>
                    <blockquote type="cite">
                      <div>
                        <div class="h5"> Dear all,<br>
                          <br>
                          I'm attempting to compute phonon at gamma
                          point of a 2x2x2 crystal structure but I get
                          the error bellow :<br>
                          <blockquote><font color="#000066"><b>.....</b><br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Atomic displacements:<br>
                              &nbsp;&nbsp;&nbsp;&nbsp; There are 192 irreducible
                              representations<br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes -
                              To be done<br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes -
                              To be done<br>
                              <b>....</b><br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp; 191&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes -
                              To be done<br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp; 192&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes -
                              To be done<br>
                              <br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Alpha used in Ewald sum =&nbsp;&nbsp; 2.8000<br>
                              &nbsp;&nbsp;&nbsp;&nbsp; PHONON&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; : 51m 2.98s CPU&nbsp;&nbsp;&nbsp;
                              51m13.49s WALL<br>
                              <br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; Electric Fields Calculation<br>
                              <br>
&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font><br>
                            <font color="#ff0000">&nbsp;&nbsp;&nbsp;&nbsp; from calbec :
                              error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<br>
                              &nbsp;&nbsp;&nbsp;&nbsp; size mismatch</font><br>
                            <font color="#000066">&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                              <br>
                              &nbsp;&nbsp;&nbsp;&nbsp; stopping ...<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.<br>
                              Signal 15 received.</font><br>
                          </blockquote>
                          Here is my input<br>
                          <blockquote><font color="#000066">phonons<br>
                              &nbsp;&amp;inputph<br>
                              &nbsp; tr2_ph=1.0d-14,<br>
                              &nbsp;
                              prefix='S007__086_B4N4.vcrelax.vcrelax_2x2x2',<br>
                              &nbsp; epsil=.true.,<br>
                              &nbsp; amass(1)=10.811000,<br>
                              &nbsp; amass(2)=14.006700,<br>
                              &nbsp;&nbsp;&nbsp; outdir='./SCF_PH',<br>
                              &nbsp;&nbsp;&nbsp;
                              fildyn='S007__086_B4N4.vcrelax.vcrelax_2x2x2.dynG',<br>
                              &nbsp;&nbsp; /<br>
                              &nbsp; 0.0 0.0 0.0</font><br>
                          </blockquote>
                          What sounds weird to me is that I don't have
                          any problem when I perform the same
                          calculation on the unit cell, I mean the 1x1x1
                          structure.<br>
                          Before running ph.x I do a regular scf
                          calculation at gamma point only which ends
                          normally:<br>
                          <blockquote><font color="#000066">K_POINTS
                              automatic<br>
                              1 1 1&nbsp;&nbsp; 0 0 0</font><br>
                          </blockquote>
                          I generate my supercell from the optimized
                          unit cell and do not optimized it again due to
                          time consuming.<br>
                          I don't have much experience in phonon
                          calculations so any hits are welcome.<br>
                          Thank you,<br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
                          <br>
                          <div>-- <br>
                            <center> <font color="#946e8c"> <em> Be
                                  the change you wish to see in the
                                  world<br>
                                </em> <small> <font color="#946e8c"> &#8212;
                                    Mahatma Gandhi &#8212;<br>
                                  </font></small> <br>
                                <a moz-do-not-send="true"
                                  href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986"
                                  target="_blank">Dr. &Eacute;ric Germaneau</a><br>
                                <br>
                                Graduate University of Chinese Academy
                                of Sciences<br>
                                College of Physical Sciences<br>
                                Yuquan Road 19A<br>
                                Beijing 100049<br>
                                China<br>
                                <br>
                                <small> <em> <font
                                      style="color:#498848" face="Times">
                                      Please, if possible, don't send me
                                      MS Word or PowerPoint attachments<br>
                                      Why? See: <a
                                        moz-do-not-send="true"
                                        href="http://www.gnu.org/philosophy/no-word-attachments.html"
                                        style="text-decoration:none"
                                        target="_blank"><font
                                          color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                                    </font></em> </small> </font></center>
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                    </blockquote>
                    <div class="im"> <br>
                      <div>-- <br>
                        <center> <font color="#946e8c"> <em> Be the
                              change you wish to see in the world<br>
                            </em> <small> <font color="#946e8c"> &#8212;
                                Mahatma Gandhi &#8212;<br>
                              </font></small> <br>
                            <a moz-do-not-send="true"
                              href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986"
                              target="_blank">Dr. &Eacute;ric Germaneau</a><br>
                            <br>
                            Graduate University of Chinese Academy of
                            Sciences<br>
                            College of Physical Sciences<br>
                            Yuquan Road 19A<br>
                            Beijing 100049<br>
                            China<br>
                            <br>
                            <small> <em> <font style="color:#498848"
                                  face="Times"> Please, if possible,
                                  don't send me MS Word or PowerPoint
                                  attachments<br>
                                  Why? See: <a moz-do-not-send="true"
                                    href="http://www.gnu.org/philosophy/no-word-attachments.html"
                                    style="text-decoration:none"
                                    target="_blank"><font
                                      color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                                </font></em> </small> </font></center>
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                  <br>
                </blockquote>
              </div>
              <br>
              <br clear="all">
              <div><br>
              </div>
              -- <br>
              <b>Dr. Sanjeev Kumar Gupta</b><br>
              <b><span style="color:rgb(0, 0, 153)">Post Doctoral
                  Fellow,</span><br style="color:rgb(0, 0, 153)">
                <span style="color:rgb(0, 0, 153)"></span><i
                  style="color:rgb(0, 0, 153)">(Ministry of New and
                  Renewable Energy</i><span style="color:rgb(0, 0, 153)">)</span><br
                  style="color:rgb(0, 0, 153)">
                <span style="color:rgb(0, 153, 0)">Department of
                  Physics,</span><br style="color:rgb(0, 153, 0)">
                <span style="color:rgb(0, 153, 0)">Bhavnagar University,
                  Bhavnagar-364 022</span><br style="color:rgb(0, 153,
                  0)">
                <span style="color:rgb(0, 153, 0)">Gujarat, India</span></b><br>
              <br>
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        </blockquote>
        <br>
        <div class="moz-signature">-- <br>
          <center> <font color="#946e8c"> <em> Be the change you wish
                to see in the world<br>
              </em> <small> <font color="#946e8c"> &#8212; Mahatma Gandhi &#8212;<br>
                </font></small> <br>
              <a moz-do-not-send="true"
                href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.


                &Eacute;ric Germaneau</a><br>
              <br>
              Graduate University of Chinese Academy of Sciences<br>
              College of Physical Sciences<br>
              Yuquan Road 19A<br>
              Beijing 100049<br>
              China<br>
              <br>
              <small> <em> <font style="color: #498848" face="Times">
                    Please, if possible, don't send me MS Word or
                    PowerPoint attachments<br>
                    Why? See: <a moz-do-not-send="true"
                      href="http://www.gnu.org/philosophy/no-word-attachments.html"
                      style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                  </font></em> </small> </font></center>
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        <br>
        <pre wrap="">_______________________________________________
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</pre>
      </blockquote>
      <br>
      <div class="moz-signature">-- <br>
        <center> <font color="#946e8c"> <em> Be the change you wish to
              see in the world<br>
            </em> <small> <font color="#946e8c"> &#8212; Mahatma Gandhi &#8212;<br>
              </font></small> <br>
            <a moz-do-not-send="true"
              href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.

              &Eacute;ric Germaneau</a><br>
            <br>
            Graduate University of Chinese Academy of Sciences<br>
            College of Physical Sciences<br>
            Yuquan Road 19A<br>
            Beijing 100049<br>
            China<br>
            <br>
            <small> <em> <font style="color: #498848" face="Times">
                  Please, if possible, don't send me MS Word or
                  PowerPoint attachments<br>
                  Why? See: <a moz-do-not-send="true"
                    href="http://www.gnu.org/philosophy/no-word-attachments.html"
                    style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                </font></em> </small> </font></center>
      </div>
      <br>
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      <br>
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</pre>
    </blockquote>
    <br>
    <div class="moz-signature">-- <br>
      <center>
        <font color="#946e8c">
          <em>
            Be the change you wish to see in the world<br>
          </em>
          <small>
            <font color="#946e8c">
              &#8212; Mahatma Gandhi &#8212;<br>
            </font></small>
          <br>
          <a
            href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.
            &Eacute;ric Germaneau</a><br>
          <br>
          Graduate University of Chinese Academy of Sciences<br>
          College of Physical Sciences<br>
          Yuquan Road 19A<br>
          Beijing 100049<br>
          China<br>
          <br>
          <small>
            <em>
              <font style="color: #498848" face="Times">
                Please, if possible, don't send me MS Word or PowerPoint
                attachments<br>
                Why? See: <a
                  href="http://www.gnu.org/philosophy/no-word-attachments.html"
                  style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
              </font></em>
          </small>
        </font></center>
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