Bad condition number R_COND = 3.357E-17
smzhe... at imr.ac.cn
smzhe... at imr.ac.cn
Sun Mar 13 12:31:10 UTC 2016
Hi developers and users
what is wrong?
how to deal with my problem?
can you help me?
Thankyou!
shumin
*************************************************
*** ERROR in mathlib (MODULE invert_matrix_d) ***
*************************************************
*** Bad condition number R_COND = 3.357E-17 (smaller than the machine ***
*** working precision) ***
*** Program stopped at line number 593 of MODULE invert_matrix_d ***
===== Routine Calling Stack =====
11 ddapc_eval_AmI
10 cp_ddapc_create
9 cp_ddapc_init
8 qs_env_update_s_mstruct
7 qs_energies_init_hamiltonians
6 qs_energies_scf
5 qs_forces
6 qs_energies_scf
5 qs_forces
4 cp_eval_at
3 geoopt_bfgs
2 cp_cell_opt
1 CP2K
CP2K| Abnormal program termination, stopped by process number 2
4 cp_eval_at
3 geoopt_bfgs
2 cp_cell_opt
1 CP2K
CP2K| Abnormal program termination, stopped by process number 5
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