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<div class="moz-cite-prefix">Dear Alba,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><font face="Helvetica, Arial,
sans-serif">in the school you mentioned the "outdir" was
explicitly defined as an QE environmental variable </font><code><span
id="LC125" class="line" lang="shell"><span class="s1"><font
face="Helvetica, Arial, sans-serif">(ESPRESSO_TMPDIR=/tmp
in ~/.bashrc), if you didn't define this varible this is
likely the reason for the crashed calculation (the outdir
variable has to be set to the same path both in the input
for pw.x and pp.x). <br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">So you have two options, either define the
environmental variable as was done in the school. Or you
can define outdir in the CONTROL namelist in both input
files as:</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">&CONTROL</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">outdir = '/path/to/scratch/'<br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">/<br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">where you replace "/path/to/scratch" with the
appropriate path (note that pseudodir also needs to be
defined".</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">For other customizations that were done please
check the post-install-qe2019.sh in the post-install
directory on git lab (link for your convenience):</font></span></span></code></div>
<div class="moz-cite-prefix"><br>
<code><span id="LC125" class="line" lang="shell"><span class="s1"><font
face="Helvetica, Arial, sans-serif"> </font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><a class="moz-txt-link-freetext" href="https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/post-install/post-install-qe2019.sh">https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/post-install/post-install-qe2019.sh</a><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif"><br>
</font></span></span></code></div>
<div class="moz-cite-prefix"><code><span id="LC125" class="line"
lang="shell"><span class="s1"><font face="Helvetica, Arial,
sans-serif">pay particular attention to the modification
to .bashrc beginning after line 115. <br>
</font></span></span></code></div>
<p>Best,</p>
<p>Matic<br>
</p>
<pre class="moz-signature" cols="72">
--
Matic Poberznik
J. Stefan Institute, Jamova 39, Ljubljana, Slovenia</pre>
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