<div dir="ltr"><div>Hi developers and users </div><div>                        what is wrong?</div><div>                        how to deal with my problem?</div><div>                       can you help me?</div><div>                       Thankyou!</div><div>                                                     shumin   </div><div><br></div><div><br></div><div> *************************************************<br> *** ERROR in mathlib (MODULE invert_matrix_d) ***<br> *************************************************</div><div> *** Bad condition number R_COND = 3.357E-17 (smaller than the machine ***<br> *** working precision)                                                ***</div><div> *** Program stopped at line number 593 of MODULE invert_matrix_d ***</div><div> ===== Routine Calling Stack ===== </div><div>           11 ddapc_eval_AmI<br>           10 cp_ddapc_create<br>            9 cp_ddapc_init<br>            8 qs_env_update_s_mstruct<br>            7 qs_energies_init_hamiltonians<br>            6 qs_energies_scf<br>            5 qs_forces<br>            6 qs_energies_scf<br>            5 qs_forces<br>            4 cp_eval_at<br>            3 geoopt_bfgs<br>            2 cp_cell_opt<br>            1 CP2K<br> CP2K| Abnormal program termination, stopped by process number 2<br>            4 cp_eval_at<br>            3 geoopt_bfgs<br>            2 cp_cell_opt<br>            1 CP2K<br> CP2K| Abnormal program termination, stopped by process number 5</div></div>