<div dir="ltr"><div>Hi Ole,</div><div><br></div><div>I have just tried to install ASE using Python 2.7.6, and I still got a similar error message.</div><div><br></div><div>SL</div><div><br></div><div>===============</div><div>aaa@mom3:/work/aaa/ase/ase/test/cp2k> python cp2k_H2_PBE.py<br>Traceback (most recent call last):<br> File "cp2k_H2_PBE.py", line 33, in <module><br> main()<br> File "cp2k_H2_PBE.py", line 23, in main<br> calc = CP2K(xc='PBE', label='test_H2_PBE')<br> File "/work/aaa/ase/ase/calculators/cp2k.py", line 160, in __init__<br> assert self._recv() == '* READY'<br>AssertionError</div><div><br></div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 1 July 2015 at 06:20, Ole Schütt <span dir="ltr"><<a href="mailto:o...@schuett.name" target="_blank">o...@schuett.name</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi SLing,<span><br><br>it seems like you are using Python 3 and have run into a common incompatibility issue. I'll look into it.<br>Thanks for reporting this.<span class="HOEnZb"><font color="#888888"><br><br>-Ole<br><br><br></font></span></span><div><div class="h5">Am Mittwoch, 1. Juli 2015 00:29:30 UTC+2 schrieb S Ling:<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr">Hi<div><br></div><div>I was trying several of the CP2K/ASE tests listed on the following website,</div><div><br></div><div><a href="http://www.cp2k.org/tools:ase" target="_blank" rel="nofollow">http://www.cp2k.org/tools:ase</a></div><div><br></div><div>and I got the following error message. I am not very familiar with ASE. Can you tell me what does the error message mean? Two relevant environment variables ASE_CP2K_COMMAND and CP2K_DATA_DIR have been set, and I don't think the error is related to that.</div><div><br></div><div>Many thanks!</div><div><br></div><div>SL</div><div><br></div><div><div>[aaa@www cp2k]$ python cp2k_O2.py </div><div>Traceback (most recent call last):</div><div> File "cp2k_O2.py", line 35, in <module></div><div> main()</div><div> File "cp2k_O2.py", line 25, in main</div><div> basis_set="SZV-MOLOPT-SR-GTH")</div><div> File "/home/aaa/.local/lib/python3.3/site-packages/ase/calculators/cp2k.py", line 160, in __init__</div><div> assert self._recv() == '* READY'</div><div>AssertionError</div><div>Exception TypeError: "'str' does not support the buffer interface" in <bound method CP2K.__del__ of <ase.calculators.cp2k.CP2K object at 0x2ae385f1b250>> ignored</div></div><div><br></div></div></blockquote></div></div></div><div class="HOEnZb"><div class="h5">
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