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<div class="moz-cite-prefix">Are you using Wien2k 11.1? There was a
bug in it:<br>
<br>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017010.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017010.html</a><br>
<br>
P.S. Wien2k 12.1 is basically a fixed version of 11.1.<br>
<br>
On 3/12/2013 3:34 AM, Azadeh Beiranvand wrote:<br>
</div>
<blockquote
cite="mid:1363080883.78449.YahooMailNeo@web172601.mail.ir2.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div dir="ltr">dear all wien users</div>
<div dir="ltr">I have encountered a problem in mini program for
Cu2ZnGeSe4 structure.(my parameters are:rkmax=6,kpoint=52 and
structure is tetragonal with I-4 space group)<br>
</div>
<div dir="ltr">when i put convergence on force,after some cycles
this error occurs:<br>
</div>
<pre><font size="2">in cycle 14 ETEST: .0000125200000000 CTEST: .0012684
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weighs written
</font><font size="2">forrtl: severe (174): SIGSEGV, segmentation fault occurred</font>
<font size="2"><span style="font-family: times new roman,new york,times,serif;"></span>Image PC Routine Line Source </font><font size="2"><span style="font-family: times new roman,new
york,times,serif;">
</span>lapw2c 0000000000461391 l2main_ 892 l2main_tmp_.F</font><font size="2">
</font></pre>
<pre><font size="2">lapw2c 0000000000474C8C MAIN__ 564 lapw2_tmp_.F
lapw2c 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003D6921ECDD Unknown Unknown Unknown
lapw2c 0000000000403BC9 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
lapw2c 0000000000461391 l2main_ 892 l2main_tmp_.F
lapw2c 0000000000474C8C MAIN__ 564 lapw2_tmp_.F
lapw2c 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003D6921ECDD Unknown Unknown
Unknown
lapw2c 0000000000403BC9 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
lapw2c 0000000000461391 l2main_ 892 l2main_tmp_.F
lapw2c 0000000000474C8C MAIN__ 564 lapw2_tmp_.F
lapw2c 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003D6921ECDD Unknown Unknown Unknown
lapw2c 0000000000403BC9 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
lapw2c 0000000000461391 l2main_ 892 l2main_tmp_.F
lapw2c 0000000000474C8C MAIN__ 564
lapw2_tmp_.F
lapw2c 0000000000403CCC Unknown Unknown Unknown
libc.so.6 0000003D6921ECDD Unknown Unknown Unknown
lapw2c 0000000000403BC9 Unknown Unknown Unknown
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory
> stop error
---------------------------------------------------------------------------------------------------------------
error files contain this massage: "testerror: Error in Parallel LAPW2"
also when i do not use parallel calculation again this error appears.
best wishes.
</font></pre>
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</blockquote>
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