<div>Dear CP2K users,<br></div><div>I am using Adaptive Buffered force QMMM (AdBF-QM/MM) method to do MD. But I can see only one timestep MD was done and then warning happened as follows:</div><div>*******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                             CPASSERT failed                          *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                                      qmmmx_update.F:193 *</div><div> *******************************************************************************</div><div>I don't know what to do. Could you give me some helps?  I have input and output files, but the size is too big to upload. If you need them, I am willing to provide.</div><div><br></div><div>Thanks advance</div><div>Vaclav</div><div><br></div>