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<font size="2">Hello,</font></div>
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<font size="2">I am able to run serial SCF via SLURM<br>
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<a href="https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.01" id="LPlnk237123">https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.01</a></div>
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but when trying parallel</div>
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<a href="https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.02" id="LPNoLPOWALinkPreview">https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.02</a>
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I get <span style="font-family:monospace"><span style="color: rgb(255, 255, 255); background-color: rgb(0, 0, 0);" class="ContentPasted2">lapw2.error</span><br class="ContentPasted2">
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<span style="font-family:monospace" class="ContentPasted3"><span style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);" class="ContentPasted3">'LAPW2' - can't open unit: 30 </span><br class="ContentPasted3">
'LAPW2' - filename: LvO2onQg.energy_1 <br class="ContentPasted3">
** testerror: Error in Parallel LAPW2<br class="ContentPasted3">
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The file "<span style="font-family:monospace" class="ContentPasted3 ContentPasted4">LvO2onQg.energy</span>" is correct in serial mode.</div>
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Seems that <span style="font-family:monospace" class="ContentPasted3 ContentPasted6">
LvO2onQg.energy_1</span> file is not produces in parallel run ?<br>
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All files are <a href="https://github.com/miroi/open-collection/tree/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg" id="LPNoLPOWALinkPreview_1">
https://github.com/miroi/open-collection/tree/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg</a><br>
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Best,</div>
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<br>
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Miro<br>
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