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<p>Most likely, you run out of memory.</p>
<p>You have just 32 GM Ram.</p>
<p>I suggest to use only 4 k-parallel jobs and omp_lapw1:2. This
will anyway run as fast as 8*1 jobs.<br>
</p>
<p>While lapw1 is running, use "top" to see its memory/cpu
consumption.</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 23.10.2023 um 11:37 schrieb Victor
Zenou:<br>
</div>
<blockquote type="cite"
cite="mid:CAOFFwJ44Y=2G3mFBMfMq8+vgOUa0d+dAi-80TmFLm0JbvEJVUQ@mail.gmail.com">
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<div dir="rtl"> <span></span>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr;background:transparent"
align="left">
<font color="#222222"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3"><span
style="background:rgb(255,255,255)">Dear
Wien2k users!</span></font></font></font></p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">I’m
investigating a 54 tungsten atoms supercell (3x3x3),
with 1 helium
atom (primitive cell) at different interstitial sites. </font></font></font><font
color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">I</font></font></font><font
color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">
tried a parallel job with 8 cores, </font></font></font><font
color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">which
worked for me in the past for another case in the same
system</font></font></font><font color="#000000"><font
face="Times New Roman, serif"><font style="font-size:13pt"
size="3">.
</font></font></font>
</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">In *.machines file I
used the following:</font></font></font></p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
1:localhost</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
granularity:1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
extrafine:1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
omp_global:8</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
omp_lapw1:1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">omp_lapw2:1
</font></font></font>
</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
I got error at the first cycle. The lapw1.error file showed:</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
** Error in Parallel LAPW1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
** LAPW1 STOPPED at Mon 18 Sep 23:22:37 IDT 2023</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
** check ERROR FILES!</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
Error in LAPW1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
Error in LAPW1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
Error in LAPW1</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">Error
in LAPW1</font></font></font></p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
Out of 8 cores (lapw1_1 to lapw1_8), 4 showed error:</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
lapw1_1.error </p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
lapw1_3.error </p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
lapw1_4.error </p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">lapw1_6.error
</font></font></font>
</p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">All
showed: Error in LAPW1</font></font></font></p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">I’m
using WIEN2k_23.2 on a computer built with i7-10700
processor
@ 2.90GHz (8 cores; 16 Threads), 32 GB memory and 500 GB
SSD.</font></font></font></p>
<p class="gmail-western"
style="line-height:100%;margin-bottom:0.5cm;background:rgb(255,255,255);font-family:"Liberation Serif",serif;font-size:12pt;color:rgb(0,0,0);text-align:left;direction:ltr"
align="left">
<font color="#000000"><font face="Times New Roman, serif"><font
style="font-size:13pt" size="3">Best
regards, Victor</font></font></font></p>
</div>
<br>
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