dpgen:finished but No accurate structures obtained #1461
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chenyuping6
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I am using cp2k 12fs MD data as initial data to train dpgen, sys_ configs contains four POSCAR structures. After the dpgen loop is completed once, folders iter. 000000 and iter. 00000 1 are generated, where iter. 00000 1 only contain the 00. train folder, but no accurate structure was obtained. There are no additional errors. How should I solve it?
DeepModeling
Version: 0.12.0
Path: /public/home/CYP/deepmd-kit/lib/python3.11/site-packages/dpgen
Dependency
pymatgen unknown version or path
monty 2023.11.3 /public/home/CYP/deepmd-kit/lib/python3.11/site-packages/monty
ase 3.22.1 /public/home/CYP/deepmd-kit/lib/python3.11/site-packages/ase
paramiko 3.4.0 /public/home/CYP/deepmd-kit/lib/python3.11/site-packages/paramiko
custodian 2023.10.9 /public/home/CYP/deepmd-kit/lib/python3.11/site-packages/custodian
Reference
Please cite:
Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E,
DP-GEN: A concurrent learning platform for the generation of reliable deep learning
based potential energy models, Computer Physics Communications, 2020, 107206.
Description
INFO:dpgen:finished
(base) [CYP@master dpgen]$ 2024-01-29 10:40:24,304 - INFO : job: 0faf237941d5cdcbcb3defdbc21 7ba5c345d8e59 47162 finished
2024-01-29 10:40:54,354 - INFO : job: 571a988d57b0a843bf08125e6eb628724a5de81b 47163 finishe d
2024-01-29 11:36:27,100 - INFO : job: 940225a1134226d6b8b6370684dba3908b591110 47164 finishe d
2024-01-29 11:36:57,125 - INFO : job: c27c36c90b8b9779162e3a9f86010d142fd9c262 47165 finishe d
INFO:dpgen:-------------------------iter.000000 task 02--------------------------
INFO:dpgen:-------------------------iter.000000 task 03--------------------------
INFO:dpgen:-------------------------iter.000000 task 04--------------------------
2024-01-29 11:36:57,472 - INFO : info:check_all_finished: False
2024-01-29 11:36:57,487 - INFO : job: 8166bedefcf1351cc9bb61e074b74709c86c87a6 submit; job_i d is 47171
2024-01-29 11:50:28,864 - INFO : job: 8166bedefcf1351cc9bb61e074b74709c86c87a6 47171 finishe d
INFO:dpgen:-------------------------iter.000000 task 05--------------------------
INFO:dpgen:-------------------------iter.000000 task 06--------------------------
INFO:dpgen:system 000 candidate : 2 in 804 0.25 %
INFO:dpgen:system 000 failed : 802 in 804 99.75 %
INFO:dpgen:system 000 accurate : 0 in 804 0.00 %
INFO:dpgen:system 000 accurate_ratio: 0.0000 thresholds: 1.0000 and 1.0000 eff. task min and max -1 30 number of fp tasks: 2
INFO:dpgen:-------------------------iter.000000 task 07--------------------------
2024-01-29 11:50:29,020 - INFO : info:check_all_finished: False
2024-01-29 11:50:29,030 - INFO : job: 32ba57aaf924133c5de4f40c65f5db29c3942ecd submit; job_i d is 47174
2024-01-29 11:50:29,040 - INFO : job: 0d6350addc2e21450c75e9bb04aed1507a07e690 submit; job_i d is 47175
2024-01-29 12:49:33,055 - INFO : job: 32ba57aaf924133c5de4f40c65f5db29c3942ecd 47174 finishe d
2024-01-29 13:40:34,434 - INFO : job: 0d6350addc2e21450c75e9bb04aed1507a07e690 47175 finishe d
INFO:dpgen:-------------------------iter.000000 task 08--------------------------
INFO:dpgen:failed frame: 0 in 2 0.00 %
INFO:dpgen:failed tasks: 0 in 2 0.00 %
INFO:dpgen:=============================iter.000001==============================
INFO:dpgen:-------------------------iter.000001 task 00--------------------------
INFO:dpgen:-------------------------iter.000001 task 01--------------------------
2024-01-29 13:40:34,640 - INFO : info:check_all_finished: False
2024-01-29 13:40:34,654 - INFO : job: 0faf237941d5cdcbcb3defdbc217ba5c345d8e59 submit; job_i d is 47218
2024-01-29 13:40:34,667 - INFO : job: 571a988d57b0a843bf08125e6eb628724a5de81b submit; job_i d is 47219
2024-01-29 13:40:34,678 - INFO : job: 940225a1134226d6b8b6370684dba3908b591110 submit; job_i d is 47220
2024-01-29 13:40:34,690 - INFO : job: c27c36c90b8b9779162e3a9f86010d142fd9c262 submit; job_i d is 47221
2024-01-29 14:37:41,028 - INFO : job: 0faf237941d5cdcbcb3defdbc217ba5c345d8e59 47218 finishe d
2024-01-29 15:34:45,062 - INFO : job: 571a988d57b0a843bf08125e6eb628724a5de81b 47219 finishe d
2024-01-29 16:31:17,920 - INFO : job: 940225a1134226d6b8b6370684dba3908b591110 47220 finishe d
2024-01-29 16:41:18,199 - INFO : job: c27c36c90b8b9779162e3a9f86010d142fd9c262 47221 finishe d
INFO:dpgen:-------------------------iter.000001 task 02--------------------------
INFO:dpgen:-------------------------iter.000001 task 03--------------------------
INFO:dpgen:finished
machine.json
param.json
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