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<p>Hi Prof. Blaha and Wien2k users,</p>
<p><br>
</p>
<p> I am trying to run a spin-orbit calculation for an impurity problem with a surface supercell </p>
<p>containing 360 atoms. lapw1 worked fine but lapwso crashed with the following error message.</p>
<p>Could you please let me know how to fix it.</p>
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<p>1. case.dayfile:</p>
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</p>
<p></p>
<div>> lapwso -up -p -c (00:53:15) running LAPWSO in parallel mode</div>
<div>** LAPWSO crashed!</div>
<div>1228.960u 24.221s 21:17.83 98.0% 0+0k 7280+7712io 19pf+0w</div>
<div>error: command /lunarc/nobackup/users/eishfh/SRC/Wien2k14.2-iomkl/lapwsopara -up -c lapwso.def failed</div>
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<div>> stop error</div>
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<p></p>
<p>2. lapwso.error:</p>
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<p></p>
<div>** Error in Parallel LAPWSO</div>
<div>** Error in Parallel LAPWSO</div>
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<p></p>
<p>3. output error file:</p>
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<div>forrtl: severe (24): end-of-file during read, unit 9, file /local/slurmtmp.287632/3Mn.vectordn_1</div>
<div>Image PC Routine Line Source </div>
<div>lapwso_mpi 00000000004634E3 Unknown Unknown Unknown</div>
<div>lapwso_mpi 000000000047F3C4 Unknown Unknown Unknown</div>
<div>lapwso_mpi 000000000042BA1F kptin_ 56 kptin.F</div>
<div>lapwso_mpi 0000000000431566 MAIN__ 523 lapwso.F</div>
<div>lapwso_mpi 000000000040B3EE Unknown Unknown Unknown</div>
<div>libc.so.6 00002B4243E6BB15 Unknown Unknown Unknown</div>
<div>lapwso_mpi 000000000040B2E9 Unknown Unknown Unknown</div>
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<div class="PlainText">Thanks,</div>
<div class="PlainText">Fhokrul</div>
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