<div dir="ltr"><div>Dear CP2K developers,</div><div><br></div><div>I am trying to use KPOINTS with cp2k-3.0.<br>I can run the test c_1.inp (directory tests/QS/regtest-kp-1) with NREP 1<br>(i.e. MULTIPLE_UNIT_CELL 1 1 1) and NREP 2, but with NREP 3 I get the following error:</div><div><br></div><div> *******************************************************************************</div><div> *   ___                                                                       *<br> *  /   \                                                                      *<br> * [ABORT]                                                                     *<br> *  \___/                             CPASSERT failed                          *<br> *    |                                                                        *<br> *  O/|                                                                        *<br> * /| |                                                                        *<br> * / \                                             qs_collocate_density.F:1827 *<br> *******************************************************************************</div><div><br></div><div><br> ===== Routine Calling Stack =====</div><div><br></div><div>            7 calculate_rho_elec<br>            6 qs_rho_update_rho<br>            5 scf_env_initial_rho_setup<br>            4 init_scf_run<br>            3 qs_energies<br>            2 qs_forces<br>            1 CP2K</div><div><br></div><div><br>I used up to 192 processors. CP2K vers 3.0 compiled with ifort 14.0 + openpmi 1.4.3 + mkl 11.1</div><div><br></div><div>Best regards,</div><div><br></div><div>Michele.<br></div></div>