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    It might be a problem of memory or access to disk<br>
    I don't see anything of fundamentally different when you increase
    number of k points or cutoff.<br>
    stefano<br>
    <br>
    <br>
    On 06/30/2011 10:28 AM, Mohammad Saghayezhian wrote:
    <blockquote
      cite="mid:BANLkTikjpAMV4t4eyN80dCn4+uNjznF63Q@mail.gmail.com"
      type="cite">
      <pre wrap="">Dear All,

When I perform the scf calculation with high kp (45 45 45) and cut-off (42
Ry), the parallel execution ph.x fails and stops (q-points in ph.in: 4 4 3).
but lowering the kp (15 15 15) and cut-off (22 Ry) solves the problem and
the parallel ph.x goes on without any problem. Does this mean that I can not
calculate phonon spectra with this accuracy?
Also, the calculations are for metals.


</pre>
      <blockquote type="cite">
        <pre wrap="">Dear PWscf users,

I have encountered a problem during parallel execution of ph,x

Actually the parallel pw,x performs good and without any error, but ph.x
</pre>
      </blockquote>
      <pre wrap="">does not work,
</pre>
      <blockquote type="cite">
        <pre wrap="">I lowered the kpoints and kinetic-energy cut-off and the problem solved
</pre>
      </blockquote>
      <pre wrap="">and ph.x works properly.
</pre>
      <blockquote type="cite">
        <pre wrap="">I need high accuracy in my calculation, so I cannot lower the kpoints and
</pre>
      </blockquote>
      <pre wrap="">cut-off.
</pre>
      <blockquote type="cite">
        <pre wrap="">How can I perform parallel ph.x without lowering the computational
</pre>
      </blockquote>
      <pre wrap="">parameters?
</pre>
      <blockquote type="cite">
        <pre wrap="">
Any help would be appreciated.
Thanks.

------------------------------
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      <pre wrap="">-------------------------------------
</pre>
      <blockquote type="cite">
        <pre wrap="">Mohammad Saghayezhian

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      </blockquote>
      <pre wrap="">
---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
<a class="moz-txt-link-freetext" href="http://stefano.baroni.me">http://stefano.baroni.me</a> [+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

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