<div dir="ltr"><div>Dear CP2K users,</div><div><br></div><div>I would like to use CP2K to read cif file for the simulation cell and coordinates,</div><div>Therefore, my input file looks like:</div><div><div style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #000;" class="styled-by-prettify">      </span><span style="color: #660;" class="styled-by-prettify">&</span><span style="color: #000;" class="styled-by-prettify">CELL<br>         CELL_FILE_FORMAT CIF<br>         CELL_FILE_NAME input</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cif<br>      </span><span style="color: #660;" class="styled-by-prettify">&</span><span style="color: #008;" class="styled-by-prettify">END</span><span style="color: #000;" class="styled-by-prettify"> CELL<br>      </span><span style="color: #660;" class="styled-by-prettify">&</span><span style="color: #000;" class="styled-by-prettify">TOPOLOGY<br>          COORD_FILE_FORMAT CIF<br>          COORD_FILE_NAME input</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cif<br>      </span><span style="color: #660;" class="styled-by-prettify">&</span><span style="color: #008;" class="styled-by-prettify">END</span><span style="color: #000;" class="styled-by-prettify"> TOPOLOGY</span></div></code></div><br>While,  CP2K complains that:</div><div><div style="background-color: rgb(250, 250, 250); border-color: rgb(187, 187, 187); border-style: solid; border-width: 1px; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*******************************************************************************</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">   ___                                                                       </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">  </span><span style="color: #080;" class="styled-by-prettify">/   \                                                                      *<br> *  /</span><span style="color: #000;" class="styled-by-prettify">   </span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">                                                                      </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #000;" class="styled-by-prettify">ABORT</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify">                                                                     </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">  </span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">___</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">                    invalid value </span><span style="color: #008;" class="styled-by-prettify">for</span><span style="color: #000;" class="styled-by-prettify"> enumeration</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify">CIF                 </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">[</span><span style="color: #000;" class="styled-by-prettify">ABORT</span><span style="color: #660;" class="styled-by-prettify">]</span><span style="color: #000;" class="styled-by-prettify">                                                                     </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">  </span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">___</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">                    invalid value </span><span style="color: #008;" class="styled-by-prettify">for</span><span style="color: #000;" class="styled-by-prettify"> enumeration</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #000;" class="styled-by-prettify">CIF                 </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">    </span><span style="color: #660;" class="styled-by-prettify">|</span><span style="color: #000;" class="styled-by-prettify">                                                                        </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">    </span><span style="color: #660;" class="styled-by-prettify">|</span><span style="color: #000;" class="styled-by-prettify">                                                                        </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">  O</span><span style="color: #660;" class="styled-by-prettify">/|</span><span style="color: #000;" class="styled-by-prettify">                                                                        </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #080;" class="styled-by-prettify">/| |                                                                        *<br> * /</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">\</span><span style="color: #000;" class="styled-by-prettify">                                     input</span><span style="color: #660;" class="styled-by-prettify">/</span><span style="color: #000;" class="styled-by-prettify">input_enumeration_types</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">F</span><span style="color: #660;" class="styled-by-prettify">:</span><span style="color: #066;" class="styled-by-prettify">226</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify"><br> </span><span style="color: #660;" class="styled-by-prettify">*******************************************************************************</span><span style="color: #000;" class="styled-by-prettify"><br><br><br> </span><span style="color: #660;" class="styled-by-prettify">=====</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Routine</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Calling</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #606;" class="styled-by-prettify">Stack</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">=====</span><span style="color: #000;" class="styled-by-prettify"><br><br>            </span><span style="color: #066;" class="styled-by-prettify">6</span><span style="color: #000;" class="styled-by-prettify"> val_create_parsing<br>            </span><span style="color: #066;" class="styled-by-prettify">5</span><span style="color: #000;" class="styled-by-prettify"> section_vals_parse<br>            </span><span style="color: #066;" class="styled-by-prettify">4</span><span style="color: #000;" class="styled-by-prettify"> section_vals_parse<br> </span><span style="color: #660;" class="styled-by-prettify">*</span><span style="color: #000;" class="styled-by-prettify">  O</span><span style="color: #660;" class="styled-by-prettify">/|</span><span style="color: #000;" class="styled-by-prettify">                          <br></span></div></code></div></div><div><br></div><div>So, what is the reason for the error? does it relate to the input file? or CP2K compiling?</div><div><br></div><div>Thank you very much in advance.</div><div><br></div><div>Best,</div><div><br>Geng<br></div></div>