Hi,<div><br></div><div>did you manage to resolve this issue? I have the same one.<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">Le jeudi 29 avril 2021 à 08:58:28 UTC-4, qx c a écrit :<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>Dear community users:</div>I just compiled the cp2k.popt and cp2k.pmpt programs. I tested both of them and the popt version worked fine, but the pmpt version can not complete even 1 task of the test file. I ran the <b>cp2k.psmp MoS.inp</b> command and those are the error messages:<div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                             CPASSERT failed                          *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                         input/input_section_types.F:525 *</div><div> *******************************************************************************</div></div><div><br></div><div><div> ===== Routine Calling Stack ===== </div><div><br></div><div>            1 create_cp2k_root_section</div></div><div><div>--------------------------------------------------------------------------</div><div>MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD</div><div>with errorcode 1.</div><div><br></div><div>NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</div><div>You may or may not see output from other processes, depending on</div><div>exactly when Open MPI kills them.</div><div>--------------------------------------------------------------------------</div></div><div>I want to know how did this happen and what should I do to avoid those messages.</div><div>Thanks very much</div><div>Chen-Qingxi</div></blockquote></div>