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Thank you for your answer and suggestions. <br />
<br />
I tried the same calculation with a ridiculous amount of memory
(200GB, while non so calculations finish easily on 10 GB), and a
recompiled lapwso. Nothing changed unfortunately...</p><p>I'm lost now, and have no idea how to approach the problem, so I appreciate any further help.</p><p><br /></p><p>Best regards</p><p><br /></p><p>Maciej Polak</p><p><br /></p><div class="moz-cite-prefix">On 06/30/2016 10:10 AM, Lyudmila
Dobysheva wrote:<br />
</div>
<blockquote cite="mid:5774D3EC.2000201@mail.ru" type="cite">29.06.2016
22:07, Maciej Polak wrote:
<br />
<blockquote type="cite">I'm curious though, how does it get there?
<br />
</blockquote>
<br />
I am not a specialist in commands of shell, but there are several
<br />
commands writing their output to .timeso in lapwsopara, for
example:
<br />
(cd $PWD;$t $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p])
>>.timeso_$loop &
<br />
<br />
case.inso looks o'k for me.
<br />
<br />
<blockquote type="cite">case.struct:
<br />
<blockquote type="cite">ATOM -54: X=0.75880142 Y=0.74505482
Z=0.74909811
<br />
1 NUMBER OF SYMMETRY OPERATIONS
<br />
</blockquote>
</blockquote>
<br />
Many atoms, without any symmetry operation, the lattice is with
angles of 60 60 60... Maybe this is a reason - not enough memory
in computer? too large arrays?
<br />
I'd check this by two ways: decreasing number of atoms, or
increasing size of memory (maybe, recompile lapwso). As far as I
remember, lapwso requires more memory, twice at least, cpmpared to
usual lapw1 lapw2.
<br />
<br />
<blockquote type="cite">
<blockquote type="cite">29.06.2016 12:11, Maciej Polak wrote:
<br />
<blockquote type="cite">I have trouble with running run_lapw
with the "so" switch in parallel.
<br />
I narrowed down the origin of this error to be located in
.timeso_X
<br />
files (.timeso_1).
<br />
<blockquote type="cite">info in pzheevx16 5
2 1
<br />
{ 1, 0}: On entry to
<br />
PZUNMTR parameter number 5 had an illegal value
<br />
info in pzheevx16: 5
<br />
{ 1, 1}: On entry to
<br />
PZSTEIN parameter number 4 had an illegal value
<br />
</blockquote>
</blockquote>
</blockquote>
</blockquote>
<br />
Best wishes
<br />
Lyudmila Dobysheva
<br />
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