Hello,<div><br></div><div>I've encountered a problem with pw_grid_assign. The error message appears immediately after molecules kind info:</div><div><br></div><div><div> MOLECULE KIND SET INFORMATION               Total Number of bonds:        38484</div><div>                                             Total Number of bends:        14053</div><div>                                             Total Number of Urey-Bradley:     0</div><div>                                             Total Number of torsions:     22124</div><div>                                             Total Number of improper:         0</div><div>                                              Total Number of opbends:         0</div><div><br></div><div> *************************************************************************</div><div> *** 15:05:21 ERRORL2 in pw_grids:pw_grid_assign processor 0  err=-300 ***</div><div> *** condition FAILED at line 1440                                     ***</div><div> *************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack =====</div><div><br></div><div>            8 pw_grid_assign</div><div>            7 pw_grid_setup</div><div>            6 ewald_pw_init</div><div>            5 fist_init_subsys</div><div>            4 fist_init</div><div>            3 fist_create_force_env</div><div>            2 qmmm_create_force_env_low</div><div>            1 CP2K</div><div> CP2K| condition FAILED at line 1440</div><div> CP2K| Abnormal program termination, stopped by process number 0</div><div> CP2K| condition FAILED at line 1440</div><div> CP2K| Abnormal program termination, stopped by process number 4</div><div> CP2K| condition FAILED at line 1440</div><div> CP2K| Abnormal program termination, stopped by process number 1</div><div> CP2K| condition FAILED at line 1440</div><div> CP2K| Abnormal program termination, stopped by process number 3</div></div><div><br></div><div>My input is attached. Can anyone point out what's the problem here? Thank you!</div><div><br></div><div>Best,</div><div>Yue</div>