<div dir="ltr">I agree, this is a printing bug issue IMO as well.</div><div class="gmail_extra"><br><div class="gmail_quote">2016-07-17 10:28 GMT+02:00 <span dir="ltr"><<a href="mailto:huan...@mail.huji.ac.il" target="_blank">huan...@mail.huji.ac.il</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear <span style="white-space:nowrap">Tamás,</span><div><span style="white-space:nowrap"><br></span></div><div><span style="white-space:nowrap">I found the same "error" at the beginning of the output file. The version of CP2K is 2.7 in my computer.</span></div><div><span style="white-space:nowrap"><br></span></div><div><span style="white-space:nowrap">I think it is not a big problem for running CP2K, since no Error reported or no crash down of the program.</span></div><div><span style="white-space:nowrap"><br></span></div><div><span style="white-space:nowrap">It might be just a "printing bug" in the later versions (versions after 2.5.1 as you mentioned).</span></div><div><span style="white-space:nowrap"><br></span></div><div><span style="white-space:nowrap">Regards,</span></div><div><span style="white-space:nowrap">Huan</span></div><div><span style="white-space:nowrap">.</span></div><div><div class="h5"><div><span style="white-space:nowrap"><br></span></div><div><span style="white-space:nowrap"><br></span><br>On Thursday, July 14, 2016 at 5:26:06 PM UTC+3, Tamás Bihari wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear All,<div><br></div><div>We are testing a freshly compiled 3.0 version of CP2K, and in the output we noticed a suspicious error-like behavior in the beginning of the run.</div><div><br></div><div>We requested to use the following basis set and potential file:<br></div><div><div> BASIS_SET_FILE_NAME BASIS_MOLOPT</div><div> POTENTIAL_FILE_NAME GTH_POTENTIALS</div></div><div><br></div><div>While this line was present in the output.<br></div><div> GLOBAL| Basis set file name GTH_POTENTIA<br></div><div><br></div><div><br></div><div>In the earlier versions (2.5.1) we have used the same input file and the output was always consistent with the input.</div><div><br></div><div>What is the problem?</div><div><br></div></div></blockquote></div></div></div></div><div class="HOEnZb"><div class="h5">
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