<div dir="ltr">Dr. Stefano, yes, I agree with you on the point of tmp_dir. There is no tag for this.<div><br></div><div>However, I don't think the outdir "must" be right, generally in the linux system, we don't have /scratch/ and most of the users cannot write data in root directory "/". I think what he really need is "./scratch" but not "/scratch/". </div><div><br></div><div>Hence, Korichi, please check both of these in your case.<br></div><div class="gmail_extra"><br><div class="gmail_quote">2016-05-23 10:59 GMT+09:00 stefano de gironcoli <span dir="ltr"><<a href="mailto:degironc@sissa.it" target="_blank">degironc@sissa.it</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
  
    
  
  <div text="#000000" bgcolor="#FFFFFF">
    <div>outdir is fine<br>
      there isn't such a thing as tmp_dir tho.<span class="HOEnZb"><font color="#888888"><br>
      stefano</font></span><div><div class="h5"><br>
      <br>
      <br>
      On 23/05/2016 03:12, Yue-Wen Fang wrote:<br>
    </div></div></div><div><div class="h5">
    <blockquote type="cite">
      <div dir="ltr">
        <div><font face="arial,helvetica,sans-serif"><font face="times
              new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000"><font size="2" color="#222222">Hi, Korichi</font></font></font></font></font></div>
        <div><font face="arial,helvetica,sans-serif"><font face="times
              new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000"><br>
                </font></font></font></font></div>
        <div><font face="arial,helvetica,sans-serif"><font face="times
              new roman,serif"><font face="arial,helvetica,sans-serif"><font size="3" color="#000000">I think outdir='/scratch/'
                  could be wrong, are your sure it is not "~/scratch" or
                  some other directory?</font></font></font></font></div>
        <div><font size="3" color="#000000"><br>
          </font></div>
        <div><font size="3" color="#000000">In addtion, please include
            your affiliation next time when you post new thread.</font></div>
        <div><font size="3" color="#000000"><br>
          </font></div>
        <div><font size="3" color="#000000">Bests</font></div>
        <div><font size="3" color="#000000">Fang</font></div>
        <div><font size="3" color="#000000"><br>
          </font></div>
        <div class="gmail_extra"><br>
          <div class="gmail_quote">2016-05-23 5:30 GMT+09:00 Korichi
            Khadija <span dir="ltr"><<a href="mailto:kooorichi@gmail.com" target="_blank">kooorichi@gmail.com</a>></span>:<br>
            <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid">
              <div dir="ltr">hello 
                <div>
                  <pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap">I am new to Quantum Espresso and <span style="line-height:19.6px">when I run pw.x  of the scrpit below ,</span></pre>
                  <pre style="margin-top:0px;margin-bottom:0px"><pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"></pre><pre style="margin-top:0px;margin-bottom:0px"><font face="courier, courier new, monospace" color="#000000"><span style="line-height:19.6px;font-size:14px;white-space:pre-wrap">&control
    calculation='scf'
    restart_mode='from_scratch',
    pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
    outdir='/scratch/'
    prefix='lead'
    tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'

 /
 &system
    ibrav = 6,
    celldm(1) = 7.5416,
    celldm(3) = 0.98655,
    nat= 5,
    ntyp= 3,
    nspin = 2,
    starting_magnetization(2)=1.0,
    ecutwfc = 37.0,
    ecutrho = 370.0
    occupations='smearing',
    smearing='methfessel-paxton',
    degauss=0.01
 /
 &electrons
    conv_thr = 1.0e-8
    mixing_beta = 0.1
 /
ATOMIC_SPECIES
 Sr  87.62 Sr.pw91-nsp-van.UPF
 Ru 101.10 Ru.pw91-n-van.UPF
  O  16.00 O.pw91-van_ak.UPF
ATOMIC_POSITIONS
Sr      0       0       0
O       0.5     0.5     0
Ru      0.5     0.5     0.494
O       0.5     0       0.494
O       0       0.5     0.494
K_POINTS (automatic)
 10 10 10 1 1 1
</span></font></pre></pre>
                  <div><br>
                  </div>
                  <div>***************************************************************************************</div>
                  <div><br>
                  </div>
                  <div>
                    <pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px"> I am getting the following error:</span></pre>
                    <pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px">
</span></pre>
                    <pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap"><span style="line-height:19.6px">
</span></pre>
                  </div>
                  <div>
                    <div><br>
                    </div>
                    <div>     This program is part of the open-source
                      Quantum ESPRESSO suite</div>
                    <div>     for quantum simulation of materials;
                      please cite</div>
                    <div>         "P. Giannozzi et al., J.
                      Phys.:Condens. Matter 21 395502 (2009);</div>
                    <div>          URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.org</a>", </div>
                    <div>     in publications or presentations arising
                      from this work. More details at</div>
                    <div>     <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.org/quote</a></div>
                    <div><br>
                    </div>
                    <div>     Parallel version (MPI), running on     1
                      processors</div>
                    <div>     Waiting for input...</div>
                    <div>     Reading input from standard input</div>
                    <div><br>
                    </div>
                    <div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
                    <div>     Error in routine  read_namelists (5010):</div>
                    <div>      reading namelist control</div>
                    <div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
                  </div>
                  <div><br>
                  </div>
                  <div>
                    <pre style="color:rgb(0,0,0);line-height:19.6px;font-family:courier,"courier new",monospace;font-size:14px;margin-top:0px;margin-bottom:0px;white-space:pre-wrap">Please may someone shed some light on to why this is the case, and if there is anything wrong with my input. ?</pre>
                  </div>
                </div>
              </div>
              <br>
              _______________________________________________<br>
              Pw_forum mailing list<br>
              <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
              <a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
            </blockquote>
          </div>
          <br>
          <br clear="all">
          <br>
          -- <br>
          <div>
            <div dir="ltr">
              <div>
                <div dir="ltr">
                  <div>
                    <div dir="ltr">------------------------------------------------------------------------------------------------------------
                      <div>Yue-Wen FANG, PhD student
                        <div>
                          <div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal
                              University</a>, China</div>
                          <div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">Japan
                            Fine Ceramics Center, Japan</div>
                          <div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br>
                          </div>
                        </div>
                        <div><br>
                        </div>
                        <div><br>
                        </div>
                      </div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
          </div>
        </div>
      </div>
      <br>
      <fieldset></fieldset>
      <br>
      <pre>_______________________________________________
Pw_forum mailing list
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
    </blockquote>
    <br>
  </div></div></div>

<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD student<div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University</a>, China</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">Japan Fine Ceramics Center, Japan</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br></div></div><div><br></div><div><br></div></div></div></div></div></div></div></div>
</div></div>