<div dir="ltr">Hi Tiziano,<div> </div><div>Do you know what file I should be placing in the OPTIMIZE_FILE_NAME? Sorry for such a silly question, but I'm new to CP2K and I'm trying to learn, and the tutorial is not the most clear instructions.</div><div> </div><div>Best Regards,</div><div>Devyesh Rana On Wednesday, December 11, 2019 at 3:12:03 AM UTC-5, Tiziano Müller wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Dev, my guess is that OPTIMIZE_FILE_NAME should point to an actual force calculation input file rather than the parameter optimization configuration again. Best regards, Tiziano On 10.12.19 17:21, Dev Rana wrote: > Hello, > > I keep running into this CPASSERT Failed error in almost every CP2K run > that I conduct. Could someone help me understand what this error > actually means? > > Here's my latest input/output files as a reference in relation to the > <a href="https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2014_uzh_molsim%3Ah2o_ff\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGea1leSul9bxrPgCntNw4bIfaq6w';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2014_uzh_molsim%3Ah2o_ff\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGea1leSul9bxrPgCntNw4bIfaq6w';return true;">https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff</a> tutorial for > constructing a force field for an H2O molecule. Each of the worker files > has a CPASSERT failure. This consistently has happened when running all > of the example code in this tutorial. Any help would be appreciated! > > Best Regards, > Dev > > -- > You received this message because you are subscribed to the Google > Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, send > an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="YWshquU1AwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> > <mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="YWshquU1AwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>>. > To view this discussion on the web visit > <a href="https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com';return true;">https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com</a> > <<a href="https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;">https://groups.google.com/d/msgid/cp2k/bb8e7bb9-6d51-4395-912b-3a18d7d6c4d9%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;">www.chem.uzh.ch</a> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="YWshquU1AwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">tiz...@chem.uzh.ch</a> </blockquote></div></div>