<div dir="ltr">I am not sure if this is going to be useful. I have run into similar problems in the beginning. Open the POTENTIAL file and search for C to see if it really exists. In my case I either was giving the path for the wrong POTENTIAL file or there was no entry for the requested atom in the file. <br><br>On Thursday, October 13, 2016 at 2:12:47 PM UTC-4, Alex wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi all,<div><br></div><div>I'm trying to do a quick run of the B3LYP example from <a href="https://github.com/misteliy/cp2k/blob/master/tests/QS/regtest-hybrid/CH3-hybrid-b3lyp-lsd-g03.inp" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fmisteliy%2Fcp2k%2Fblob%2Fmaster%2Ftests%2FQS%2Fregtest-hybrid%2FCH3-hybrid-b3lyp-lsd-g03.inp\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEzEO9Jvx9cmshHON4ib6DKkF2p8A';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fgithub.com%2Fmisteliy%2Fcp2k%2Fblob%2Fmaster%2Ftests%2FQS%2Fregtest-hybrid%2FCH3-hybrid-b3lyp-lsd-g03.inp\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEzEO9Jvx9cmshHON4ib6DKkF2p8A';return true;">https://github.com/<wbr>misteliy/cp2k/blob/master/<wbr>tests/QS/regtest-hybrid/CH3-<wbr>hybrid-b3lyp-lsd-g03.inp</a></div><div>My input is identical, except that I am giving the paths to the potential and basis set files as absolute paths to its location on our cluster: </div><div><br></div><div><p>BASIS_SET_FILE_NAME /usr/share/cp2k/EMSL_BASIS_<wbr>SETS</p>
<p>POTENTIAL_FILE_NAME /usr/share/cp2k/POTENTIAL</p><p><br></p><p>The error I get is this:</p><p><br></p><p> *****************************<wbr>******************************<wbr>**********</p><p> *** ERROR in read_all_potential (MODULE external_potential_types) ***</p><p> *****************************<wbr>******************************<wbr>**********</p><p><br></p><p> *** The requested atomic potential <ALL> for element <C> was not found in ***</p><p> *** the potential file <../../cp2k_share/POTENTIAL> ***</p><p><br></p><p> *** Program stopped at line number 1289 of MODULE external_potential_types ***</p><div><br></div><div>I tried copying that directory into a local one, and then adjusting the paths: same error.</div><div><br></div><div>Any suggestions?</div><div><br></div><div>Thank you,</div><div><br></div><div>Alex</div><p><br></p></div><div><br></div><div><br></div></div></blockquote></div>