Hi<div>Have you solved this problem?</div><div>I also meet that  CPASSERT failed</div><div><br></div><div>Best regards<br></div><div>Vaclav</div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2019年11月20日星期三 UTC+8 上午2:10:47&...@gmail.com> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="ltr"><div>Hello all </div><div><br></div><div>Following the tutorial QM/MM , cp2k won’t pass the vnt equilibration step. The run doesn’t start and stop with the error: </div><div>*******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                             CPASSERT failed                          *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                                    topology_input.F:493 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack =====</div><div><br></div><div>            4 topology_control</div><div>            3 fist_init</div><div>            2 fist_create_force_env</div><div>            1 CP2K</div><div><br></div><div>It seems there is something wrong with the topology file. The system, however, did pass the minimization step. </div><div>Attached are the input and output files.</div><div>Nvt.inp: <a href="https://drive.google.com/file/d/1olFLbnxFy55jaNzqeJgVWgpueveDmuP0/view?usp=sharing" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://drive.google.com/file/d/1olFLbnxFy55jaNzqeJgVWgpueveDmuP0/view?usp%3Dsharing&source=gmail&ust=1621400786974000&usg=AFQjCNG3hqkmX_uzncxnXjsRg46kOazBQg">https://drive.google.com/file/d/1olFLbnxFy55jaNzqeJgVWgpueveDmuP0/view?usp=sharing</a></div><div>Nvt.out: <a href="https://drive.google.com/file/d/1czMB42IXQXi06QBRlqXDGpBZbJMkej2E/view?usp=sharing" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://drive.google.com/file/d/1czMB42IXQXi06QBRlqXDGpBZbJMkej2E/view?usp%3Dsharing&source=gmail&ust=1621400786974000&usg=AFQjCNFGcrEB-eGpBVspLCryagFCz3d3qA">https://drive.google.com/file/d/1czMB42IXQXi06QBRlqXDGpBZbJMkej2E/view?usp=sharing</a></div><div><br></div><div>complex.prmtop: <a href="https://drive.google.com/file/d/1uT2pphXWRK4wG8LOvLIRnWXriWEnbb1K/view?usp=sharing" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://drive.google.com/file/d/1uT2pphXWRK4wG8LOvLIRnWXriWEnbb1K/view?usp%3Dsharing&source=gmail&ust=1621400786974000&usg=AFQjCNG0ZvMuFLT5kFwEwB9n7bG8Xg96UA">https://drive.google.com/file/d/1uT2pphXWRK4wG8LOvLIRnWXriWEnbb1K/view?usp=sharing</a></div><div>complex.inpcrd: <a href="https://drive.google.com/file/d/1sjn8YFekQ96vjR93PJYPClNFkXW_pBtl/view?usp=sharing" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://drive.google.com/file/d/1sjn8YFekQ96vjR93PJYPClNFkXW_pBtl/view?usp%3Dsharing&source=gmail&ust=1621400786974000&usg=AFQjCNF47cBbJguC-BON72pik1M-aZjHVw">https://drive.google.com/file/d/1sjn8YFekQ96vjR93PJYPClNFkXW_pBtl/view?usp=sharing</a></div><div><br></div><div><br></div><div>Any help will be appreciated.</div><div>Best regards</div><div><br></div></div></blockquote></div>