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Quantum-espresso has been using MPI long before openmp, as a result
the MPI parallelism is more developped and more stable. I think you
can stick to just MPI with good result, even on a single
workstation.<br>
<br>
hth<br>
<br>
<div class="moz-cite-prefix">On 15/10/17 08:11, Rajesh wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAF52KGdnFxUwjVqsNnzZWzU7UQ0SjG4i9V1-GHuLDrHYrocRCg@mail.gmail.com">
<div dir="ltr">Dear Prof Paulatto ,
<div><br>
</div>
<div>Than you for your response. I need to use qe for openmpi as
well openmp but on separate workstations. I think openmp works
better on multi-cpu pc and openmpi on multi node clusters. I
am right?</div>
<div><br>
</div>
<div>Thank you.</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Sun, Oct 15, 2017 at 12:42 AM,
Lorenzo Paulatto <span dir="ltr"><<a
href="mailto:paulatz@gmail.com" target="_blank"
moz-do-not-send="true">paulatz@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex"><span
class="">On 14/10/17 09:15, Rajesh wrote:<br>
> Dear Prof Giannozzi,<br>
> Thank you for your reply. But I need openmpi
parallelization.<br>
<br>
</span>openmpi is NOT OpenMP, the former is an open-source
implementation of<br>
MPI, the later is shared-memory vectorization based on
compile-time<br>
instructions. The first is required to run in parallel, you
need both<br>
for huge number of CPUs.<br>
<br>
What do you need exactly ?<br>
<span class="HOEnZb"><font color="#888888"><br>
--<br>
Lorenzo Paulatto - Paris<br>
</font></span>
<div class="HOEnZb">
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<pre class="moz-signature" cols="72">--
Lorenzo Paulatto - Paris</pre>
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