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<p>Hi <br>
</p>
<p>no it shouldn't take that long. <br>
</p>
<p>According to the output you should be running on 5120
processors, !!!!</p>
<p>that would indeed be a terrific workstation :-).</p>
<p>the openmp version of the code is a little bit tricky, if the
number of available threads is not specified it tries to as many
as it finds, in your case 128. Most of the time is spent in
switching between threads. <br>
</p>
<p>You should specify the number of actually available threads in
the OMP_NUM_THREADS envinronment variable. <br>
</p>
<p>just type the command <br>
</p>
<p>export OMP_NUM_THREADS=<num of available threads> <br>
</p>
<p>as for the number of avaiable threads it should be something so
as to 40 time the number of thread is less than 128. <br>
</p>
<p>Also be aware that the executable has a very intensive use of the
cpu so check whether 128 is the actual number of physical cores or
it is multiplied because of hyperthreading, in that case instead
of 128 use the actual number of physical cores. <br>
</p>
<p>best wishes <br>
</p>
<p>Pietro <br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 20/10/20 13:13, Thanh-Nam Huynh
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAOQP6dsGhouLpyDK__E+YGw1s8WOPmtjNNHDcVeaB8jZ_2x6wQ@mail.gmail.com">
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<div dir="ltr"><span style="caret-color: rgb(34, 34, 34);">Dear
colleagues,</span></div>
<div dir="ltr"><span style="caret-color: rgb(34, 34, 34);"><br>
</span></div>
<div><span style="caret-color: rgb(34, 34, 34);">I ran a pp.x
job in a workstation using 40 processors to get the
potential of a surface slab a month ago. Despite that all
the processors are running at 100%, the output file stops
at these lines, and nothing has changed during this month.</span></div>
<div><span style="caret-color: rgb(34, 34, 34);"><br>
</span></div>
<p
style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
style="font-variant-ligatures:no-common-ligatures">Writing
data to file LaO_9layer_15vac.pot</span></p>
<p
style="margin:0px;font-stretch:normal;font-size:11px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
style="font-variant-ligatures:no-common-ligatures">Reading
data from file LaO_9layer_15vac.pot</span></p>
<div><br>
</div>
<div>Since I am a newbie with QE, I do not know whether pp.x
requires such a long time or there is some problem with my
input file. Therefore, I attach here the input and output
files of my computation. Can you have a look and give me
some advice?</div>
<div><br>
</div>
<div>I really appreciate your help.</div>
<div dir="ltr">-- <br>
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<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">
<div dir="ltr"><font size="2"><b>Huynh
Thanh-Nam</b></font><br>
</div>
</div>
<div style="font-size:small"><font
size="2">Department of Materials
Science and Engineering, Chungnam
National University</font></div>
<div>Yuseong-gu, Daejeon 34134, Korea<br>
</div>
<div style="font-size:small"><font
size="2">Tel: (+82) 010 5719 1521</font></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
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<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
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