<div dir="ltr">Hi,<div><br></div><div>Has anyone experienced this sort of error?</div><div><br></div><div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT] different sequence of bonds for same molecule kind molecule type  = *</div><div> *  \___/       1 molecule number=    634 NOT FOUND! Check the connectivity of *</div><div> *    |                                your system.                            *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                                    topology_util.F:1117 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack =====</div><div><br></div><div>            4 topology_molecules_check</div><div>            3 connectivity_control</div><div>            2 topology_control</div><div>            1 CP2K</div><div>application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0</div><div>[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1</div><div>:</div><div>system msg for write_line failure : Bad file descriptor</div></div><div><br></div><div>I was running a QMMM file and this failure occurred after a restarted calculation which ran without any issues before. I tried rerunning the calculation by simplifying it to plain MM input with just solvent water molecules, without success, and I am not really sure where the error is. Can someone help me understand what exactly the error is and how should I resolve it?</div><div><br></div><div>Best Regards,</div><div>MayankDodia</div></div>