<div dir="ltr">Dear Rizwan,<br><br>this is because you have requested the Grimme's dispersion correction with Becke-Johnson damping and provided no dumping parameters for your exchange-correlation functional. Please specify these parameters using either D3BJ_SCALING or REFERENCE_FUNCTIONAL keyword in the <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html">PAIR_POTENTIAL</a> section of your input file.<br><br>Sergey<br><br>On Monday, April 11, 2016 at 11:42:48 AM UTC+1, Rizwan Nabi wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear cp2k users i am getting ths error while running a job with hybrid functional. Can someone please help me to solve this issue?<div><br></div><div><br><div><div style="font-family:arial,sans-serif;font-size:12.8px"> <span style="font-size:12.8px"> **            Copyright (C) by CP2K Developers Group (2000 - 2015)           **</span><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> **                                                                           **</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *****************************<wbr>******************************<wbr>********************</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> *****************************<wbr>******************************<wbr>********************</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *   ___                                                                       *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *  /   \                                                                      *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * [ABORT]                                                                     *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *  \___/                             CPASSERT failed                          *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *    |                                                                        *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *  O/|                                                                        *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * /| |                                                                        *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * / \                                               qs_dispersion_utils.F:121 *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *****************************<wbr>******************************<wbr>********************</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> ===== Routine Calling Stack =====</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px">            2 qs_init_subsys</div><div style="font-family:arial,sans-serif;font-size:12.8px">            1 CP2K</div><div style="font-family:arial,sans-serif;font-size:12.8px">application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0</div></div></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px">Regards </div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px">Rizwan</div></div></blockquote></div>