2023-12-21 11:09:46,312 Unable to initialize backend 'rocm': NOT_FOUND: Could not find registered platform with name: "rocm". Available platform names are: CUDA
2023-12-21 11:09:46,314 Unable to initialize backend 'tpu': INTERNAL: Failed to open libtpu.so: libtpu.so: cannot open shared object file: No such file or directory
2023-12-21 11:09:51,439 Running on GPU
2023-12-21 11:09:51,720 Found 5 citations for tools or databases
2023-12-21 11:09:51,720 Query 1/1: test_b1baf (length 380)
2023-12-21 11:09:55,873 Setting max_seq=512, max_extra_seq=2133
2023-12-21 11:11:19,081 alphafold2_ptm_model_1_seed_000 recycle=0 pLDDT=92.8 pTM=0.918
2023-12-21 11:12:01,480 alphafold2_ptm_model_1_seed_000 recycle=1 pLDDT=94.5 pTM=0.929 tol=0.328
2023-12-21 11:12:43,840 alphafold2_ptm_model_1_seed_000 recycle=2 pLDDT=95 pTM=0.93 tol=0.147
2023-12-21 11:13:26,212 alphafold2_ptm_model_1_seed_000 recycle=3 pLDDT=95.4 pTM=0.931 tol=0.0464
2023-12-21 11:13:26,213 alphafold2_ptm_model_1_seed_000 took 196.2s (3 recycles)
2023-12-21 11:14:08,839 alphafold2_ptm_model_2_seed_000 recycle=0 pLDDT=93.1 pTM=0.923
2023-12-21 11:14:51,145 alphafold2_ptm_model_2_seed_000 recycle=1 pLDDT=94.5 pTM=0.934 tol=0.335
2023-12-21 11:15:33,479 alphafold2_ptm_model_2_seed_000 recycle=2 pLDDT=94.9 pTM=0.936 tol=0.0732
2023-12-21 11:16:15,744 alphafold2_ptm_model_2_seed_000 recycle=3 pLDDT=95 pTM=0.936 tol=0.105
2023-12-21 11:16:15,745 alphafold2_ptm_model_2_seed_000 took 169.1s (3 recycles)
2023-12-21 11:16:58,386 alphafold2_ptm_model_3_seed_000 recycle=0 pLDDT=94.2 pTM=0.931
2023-12-21 11:17:40,722 alphafold2_ptm_model_3_seed_000 recycle=1 pLDDT=95.6 pTM=0.939 tol=0.242
2023-12-21 11:18:23,214 alphafold2_ptm_model_3_seed_000 recycle=2 pLDDT=95.9 pTM=0.94 tol=0.0632
2023-12-21 11:19:05,496 alphafold2_ptm_model_3_seed_000 recycle=3 pLDDT=96 pTM=0.941 tol=0.0315
2023-12-21 11:19:05,498 alphafold2_ptm_model_3_seed_000 took 169.3s (3 recycles)
2023-12-21 11:19:48,195 alphafold2_ptm_model_4_seed_000 recycle=0 pLDDT=93.3 pTM=0.928
2023-12-21 11:20:30,411 alphafold2_ptm_model_4_seed_000 recycle=1 pLDDT=95 pTM=0.938 tol=1.23
2023-12-21 11:21:12,830 alphafold2_ptm_model_4_seed_000 recycle=2 pLDDT=95.3 pTM=0.939 tol=0.117
2023-12-21 11:21:55,146 alphafold2_ptm_model_4_seed_000 recycle=3 pLDDT=95.4 pTM=0.939 tol=0.0709
2023-12-21 11:21:55,148 alphafold2_ptm_model_4_seed_000 took 169.2s (3 recycles)
2023-12-21 11:22:37,891 alphafold2_ptm_model_5_seed_000 recycle=0 pLDDT=95 pTM=0.937
2023-12-21 11:23:20,243 alphafold2_ptm_model_5_seed_000 recycle=1 pLDDT=95.9 pTM=0.942 tol=0.244
2023-12-21 11:24:02,774 alphafold2_ptm_model_5_seed_000 recycle=2 pLDDT=96.1 pTM=0.942 tol=0.0948
2023-12-21 11:24:45,099 alphafold2_ptm_model_5_seed_000 recycle=3 pLDDT=96.2 pTM=0.942 tol=0.0357
2023-12-21 11:24:45,100 alphafold2_ptm_model_5_seed_000 took 169.5s (3 recycles)
2023-12-21 11:24:45,529 reranking models by 'plddt' metric
2023-12-21 11:24:46,810 Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
2023-12-21 11:28:07,758 Relaxation took 202.2s
2023-12-21 11:28:07,759 rank_001_alphafold2_ptm_model_5_seed_000 pLDDT=96.2 pTM=0.942
2023-12-21 11:31:57,582 Relaxation took 229.8s
2023-12-21 11:31:57,583 rank_002_alphafold2_ptm_model_3_seed_000 pLDDT=96 pTM=0.941
2023-12-21 11:34:40,908 Relaxation took 163.3s
2023-12-21 11:34:40,909 rank_003_alphafold2_ptm_model_4_seed_000 pLDDT=95.4 pTM=0.939
2023-12-21 11:37:38,070 Relaxation took 177.2s
2023-12-21 11:37:38,071 rank_004_alphafold2_ptm_model_1_seed_000 pLDDT=95.4 pTM=0.931
2023-12-21 11:42:06,478 Relaxation took 268.4s
2023-12-21 11:42:06,479 rank_005_alphafold2_ptm_model_2_seed_000 pLDDT=95 pTM=0.936
2023-12-21 11:42:08,236 Done
