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<p>Dear Alexandra,</p>
<p>did you try to use the trunk version with some bugs fixed (it
could be not the case of your particular problem, but anyway)?</p>
<p>Yours,</p>
<p>Anton<br>
</p>
<div class="moz-cite-prefix">30.09.2022 10:00, Alexandra Tsybizova
пише:<br>
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cite="mid:95d68e6e-d7ba-408b-9389-3a10027ac4d8n@googlegroups.com">
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Dear cp2k community,
<div><br>
</div>
<div>I have been experiencing weird errors when I try to run md
simulations with cp2k, when I use xtb method. The calculation
seems to run fine for the first 130 steps or so, and then
abruptly crashes with a signal 6 (SIGABRT). In the past, I used
similar inputs to run dft trajectories, and they all finished
normally. Browsing this forum I found that similar behavior
(termination with a signal 6 (SIGABRT)) was reported by one of
the users previously, (<a
href="https://groups.google.com/g/cp2k/c/QWeC0KAgr2A"
moz-do-not-send="true" class="moz-txt-link-freetext">https://groups.google.com/g/cp2k/c/QWeC0KAgr2A</a>)
and in that case was solved by removing a duplicate line from
the input. I checked my input for duplicate lines and could not
find any, however. Could you help me identify where the problem
might be? </div>
<div><br>
</div>
<div>Thank you and best regards,</div>
<div><br>
</div>
<div>Alexandra </div>
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