Logging
2023 July 10
CrySPY 1.2.0からPython標準ライブラリのloggingを採用．
CrySPYのログは画面とファイル(log_cryspy and err_cryspy)の両方に出力される．
- log –> screen and
log_cryspy - error and warning –> screen and
err_cryspy
ログの例:
[2023-07-10 18:40:54,389][cryspy_init][INFO]
Start CrySPY 1.2.0
[2023-07-10 18:40:54,389][cryspy_init][INFO] # ---------- Read input file, cryspy.in
[2023-07-10 18:40:54,390][read_input][INFO] Save input data in cryspy.stat
[2023-07-10 18:40:54,391][cryspy_init][INFO] # ---------- Initial structure generation
[2023-07-10 18:40:54,391][cryspy_init][INFO] Number of MPI processes: 1
[2023-07-10 18:40:54,391][gen_init_struc][INFO] # ------ mindist
[2023-07-10 18:40:54,395][struc_util][INFO] Cu - Cu: 1.32
[2023-07-10 18:40:54,395][gen_init_struc][INFO] # ------ generate structures
[2023-07-10 18:40:54,481][gen_pyxtal][INFO] Structure ID 0 was generated. Space group: 1 --> 1 P1
[2023-07-10 18:40:54,493][gen_pyxtal][INFO] Structure ID 1 was generated. Space group: 28 --> 28 Pma2
[2023-07-10 18:40:54,498][gen_pyxtal][INFO] Structure ID 2 was generated. Space group: 29 --> 29 Pca2_1
[2023-07-10 18:40:54,704][gen_pyxtal][INFO] Structure ID 3 was generated. Space group: 137 --> 137 P4_2/nmc
[2023-07-10 18:40:54,725][gen_pyxtal][INFO] Structure ID 4 was generated. Space group: 212 --> 214 I4_132
[2023-07-10 18:40:54,800][cryspy_init][INFO] Elapsed time for structure generation: 0:00:00.408367
CrySPYをバックグラウンドジョブとして実行する場合や，自動スクリプト（repeat_cryspy）を使う場合などで，画面に出力させたくないときは下記のように-n オプションをつけて実行する．
cryspy -n