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<font color="#222222"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt"><span style="background:rgb(255,255,255)">Dear
Wien2k users!</span></font></font></font></p>
<p class="gmail-western" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">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 size="3" style="font-size:13pt">I</font></font></font><font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">
tried a parallel job with 8 cores, </font></font></font><font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">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 size="3" style="font-size:13pt">.
</font></font></font>
</p>
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<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">In
 *.machines file I used the following:</font></font></font></p>
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1:localhost</p>
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1:localhost</p>
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1:localhost</p>
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1:localhost</p>
<p class="gmail-western" align="left" 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">
1:localhost</p>
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1:localhost</p>
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1:localhost</p>
<p class="gmail-western" align="left" 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">
1:localhost</p>
<p class="gmail-western" align="left" 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">
granularity:1</p>
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extrafine:1</p>
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omp_global:8</p>
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omp_lapw1:1</p>
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<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">omp_lapw2:1
</font></font></font>
</p>
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I got error at the first cycle. The lapw1.error file showed:</p>
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**  Error in Parallel LAPW1</p>
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**  LAPW1 STOPPED at Mon 18 Sep 23:22:37 IDT 2023</p>
<p class="gmail-western" align="left" 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">
**  check ERROR FILES!</p>
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Error in LAPW1</p>
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Error in LAPW1</p>
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Error in LAPW1</p>
<p class="gmail-western" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">Error
in LAPW1</font></font></font></p>
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Out of 8 cores (lapw1_1 to lapw1_8), 4 showed error:</p>
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lapw1_1.error 
</p>
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lapw1_3.error 
</p>
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lapw1_4.error 
</p>
<p class="gmail-western" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">lapw1_6.error
</font></font></font>
</p>
<p class="gmail-western" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">All
showed: Error in LAPW1</font></font></font></p>
<p class="gmail-western" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">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" align="left" 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">
<font color="#000000"><font face="Times New Roman, serif"><font size="3" style="font-size:13pt">Best
regards, Victor</font></font></font></p>

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