<div dir="auto">Without more information nobody can help. As a start, run the command "Check-mixing" and include the output in an email.<div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 2, 2020, 23:30 晨晨 <<a href="mailto:chiniku@qq.com">chiniku@qq.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><p class="MsoNormal"><span lang="EN-US">Dear W2k developers and users,<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"> The
wien2k version is 19.2 on Linux with gfortran, OpenBlas and openmpi. Now
executing min_lapw occurs errors as the following: <u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">[YG@]$
min_lapw -j 'run_lapw -I -fc 1.0 -i 60'<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP
DSTART ENDS<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">6.269u
0.719s 0:00.95 733.6% 0+0k 0+952io
0pf+0w<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW1 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW2 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP CORE
END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP MIXER END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">ec cc
and fc_conv 1 1 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">in cycle
2 ETEST: 0 CTEST: 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW1 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW2 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP CORE
END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP MIXER END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">ec cc
and fc_conv 1 1 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">in cycle
3 ETEST: 0 CTEST: 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW1 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW2 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP CORE END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP MIXER END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">ec cc
and fc_conv 1 1 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">in cycle
4 ETEST: 0 CTEST: 0<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW1 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP LAPW2 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP CORE
END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">STOP MIXER END<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">ec cc
and fc_conv 1 1 1<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">> stop<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">At line
23 of file wrtscf.f<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">Fortran
runtime error: Bad value during floating point read<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> </span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">Error
termination. Backtrace:<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#0 0x2af8d1010480 in
formatted_transfer_scalar_read<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> at
../.././libgfortran/io/transfer.c:1594<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#1 0x2af8d1011a1c in formatted_transfer<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> at ../.././libgfortran/io/transfer.c:2270<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#2 0x41310b in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#3 0x40974a in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#4 0x40ca09 in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#5 0x40cb0c in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#6 0x2af8d195cd5c in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">#7 0x401458 in ???<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> </span></p>
<span lang="EN-US" style="font-size:10.5pt;font-family:"Calibri","sans-serif"">Best
regards.</span></div>_______________________________________________<br>
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