Closed levipierce closed 3 years ago
Could you post the full log please? Your log doesn't include the error message.
Hi milot, yeah that is what is annoying that is the end of the output? There were a few more lines dumped to the terminal I included here but nothing useful? Any ideas?
Thanks, ~LP
I0722 20:08:09.345611 140299376531264 run_docker.py:180] stderr: I0722 20:08:09.345714 140299376531264 run_docker.py:180] - 20:06:04.013 INFO: Searching 65983866 column state sequences. I0722 20:08:09.345817 140299376531264 run_docker.py:180] I0722 20:08:09.345920 140299376531264 run_docker.py:180] - 20:06:05.029 INFO: Searching 15161831 column state sequences. I0722 20:08:09.346023 140299376531264 run_docker.py:180] I0722 20:08:09.346126 140299376531264 run_docker.py:180] - 20:06:05.110 INFO: /mnt/fasta_path_0/WT.fasta is in A2M, A3M or FASTA format I0722 20:08:09.346228 140299376531264 run_docker.py:180] I0722 20:08:09.346330 140299376531264 run_docker.py:180] - 20:06:05.110 INFO: Iteration 1 I0722 20:08:09.346432 140299376531264 run_docker.py:180] I0722 20:08:09.346534 140299376531264 run_docker.py:180] - 20:06:05.253 INFO: Prefiltering database I0722 20:08:09.346637 140299376531264 run_docker.py:180] I0722 20:08:09.346739 140299376531264 run_docker.py:180] - 20:07:39.225 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 1095737 I0722 20:08:09.346842 140299376531264 run_docker.py:180] I0722 20:08:09.346945 140299376531264 run_docker.py:180] - 20:08:06.155 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 292047 I0722 20:08:09.347048 140299376531264 run_docker.py:180] I0722 20:08:09.347150 140299376531264 run_docker.py:180] - 20:08:07.061 INFO: HMMs passed 2nd prefilter (gapped profile-profile alignment) : 4026 I0722 20:08:09.347253 140299376531264 run_docker.py:180] I0722 20:08:09.347355 140299376531264 run_docker.py:180] - 20:08:07.061 INFO: HMMs passed 2nd prefilter and not found in previous iterations : 4026 I0722 20:08:09.347481 140299376531264 run_docker.py:180] I0722 20:08:09.347585 140299376531264 run_docker.py:180] - 20:08:07.061 INFO: Scoring 4026 HMMs using HMM-HMM Viterbi alignment I0722 20:08:09.347689 140299376531264 run_docker.py:180] I0722 20:08:09.347792 140299376531264 run_docker.py:180] - 20:08:07.401 INFO: Alternative alignment: 0 I0722 20:08:09.347895 140299376531264 run_docker.py:180] I0722 20:08:09.347997 140299376531264 run_docker.py:180] I0722 20:08:09.348099 140299376531264 run_docker.py:180]
Here is the complete output let me know if you see something jump out...I haven't spotted it yet...
/mnt/alphafold/alphafold$ python3 docker/run_docker.py --fasta_paths=/home/ubuntu/WT.fasta --max_template_date=2020-05-14
I0722 19:44:21.344556 140299376531264 run_docker.py:114] Mounting /home/ubuntu -> /mnt/fasta_path_0
I0722 19:44:21.344772 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/uniref90 -> /mnt/uniref90_database_path
I0722 19:44:21.344918 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/mgnify -> /mnt/mgnify_database_path
I0722 19:44:21.345051 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/uniclust30/uniclust30_2018_08 -> /mnt/uniclust30_database_path
I0722 19:44:21.345181 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/bfd -> /mnt/bfd_database_path
I0722 19:44:21.345305 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/pdb70 -> /mnt/pdb70_database_path
I0722 19:44:21.345427 140299376531264 run_docker.py:114] Mounting /mnt/alphafold -> /mnt/data_dir
I0722 19:44:21.345547 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/pdb_mmcif -> /mnt/template_mmcif_dir
I0722 19:44:21.345667 140299376531264 run_docker.py:114] Mounting /mnt/alphafold/db/pdb_mmcif -> /mnt/obsolete_pdbs_path
I0722 19:44:27.013806 140299376531264 run_docker.py:180] /opt/conda/lib/python3.8/site-packages/absl/flags/_validators.py:203: UserWarning: Flag --preset has a non-None default value; therefore, mark_flag_as_required will pass even if flag is not specified in the command line!
I0722 19:44:27.014122 140299376531264 run_docker.py:180] warnings.warn(
I0722 19:44:27.474019 140299376531264 run_docker.py:180] I0722 19:44:27.472950 139991364675392 templates.py:880] Using precomputed obsolete pdbs /mnt/obsolete_pdbs_path/obsolete.dat.
I0722 19:44:28.876521 140299376531264 run_docker.py:180] I0722 19:44:28.875633 139991364675392 tpu_client.py:54] Starting the local TPU driver.
I0722 19:44:28.876889 140299376531264 run_docker.py:180] I0722 19:44:28.876029 139991364675392 xla_bridge.py:231] Unable to initialize backend 'tpu_driver': Not found: Unable to find driver in registry given worker: local://
I0722 19:44:29.108481 140299376531264 run_docker.py:180] I0722 19:44:29.107677 139991364675392 xla_bridge.py:231] Unable to initialize backend 'tpu': Invalid argument: TpuPlatform is not available.
I0722 19:44:39.831663 140299376531264 run_docker.py:180] I0722 19:44:39.830781 139991364675392 run_alphafold.py:238] Have 5 models: ['model_1', 'model_2', 'model_3', 'model_4', 'model_5']
I0722 19:44:39.832005 140299376531264 run_docker.py:180] I0722 19:44:39.831006 139991364675392 run_alphafold.py:251] Using random seed 3224152700917702021 for the data pipeline
I0722 19:44:39.832245 140299376531264 run_docker.py:180] I0722 19:44:39.831795 139991364675392 jackhmmer.py:119] Launching subprocess "/usr/bin/jackhmmer -o /dev/null -A /tmp/tmps_ary7bg/output.sto --noali --F1 0.0005 --F2 5e-05 --F3 5e-07 --incE 0.0001 -E 0.0001 --cpu 8 -N 1 /mnt/fasta_path_0/WT.fasta /mnt/uniref90_database_path/uniref90.fasta"
I0722 19:44:39.958017 140299376531264 run_docker.py:180] I0722 19:44:39.956998 139991364675392 utils.py:36] Started Jackhmmer (uniref90.fasta) query
I0722 19:53:52.531643 140299376531264 run_docker.py:180] I0722 19:53:52.530590 139991364675392 utils.py:40] Finished Jackhmmer (uniref90.fasta) query in 552.573 seconds
I0722 19:53:52.700269 140299376531264 run_docker.py:180] I0722 19:53:52.699383 139991364675392 jackhmmer.py:119] Launching subprocess "/usr/bin/jackhmmer -o /dev/null -A /tmp/tmp3qu0u7b4/output.sto --noali --F1 0.0005 --F2 5e-05 --F3 5e-07 --incE 0.0001 -E 0.0001 --cpu 8 -N 1 /mnt/fasta_path_0/WT.fasta /mnt/mgnify_database_path/mgy_clusters.fa"
I0722 19:53:52.831708 140299376531264 run_docker.py:180] I0722 19:53:52.830728 139991364675392 utils.py:36] Started Jackhmmer (mgy_clusters.fa) query
I0722 20:04:24.883711 140299376531264 run_docker.py:180] I0722 20:04:24.882228 139991364675392 utils.py:40] Finished Jackhmmer (mgy_clusters.fa) query in 632.051 seconds
I0722 20:04:27.317280 140299376531264 run_docker.py:180] I0722 20:04:27.316398 139991364675392 hhsearch.py:76] Launching subprocess "/usr/bin/hhsearch -i /tmp/tmprvqjrhp5/query.a3m -o /tmp/tmprvqjrhp5/output.hhr -maxseq 1000000 -d /mnt/pdb70_database_path/pdb70"
I0722 20:04:27.451295 140299376531264 run_docker.py:180] I0722 20:04:27.450233 139991364675392 utils.py:36] Started HHsearch query
I0722 20:05:30.228377 140299376531264 run_docker.py:180] I0722 20:05:30.227458 139991364675392 utils.py:40] Finished HHsearch query in 62.777 seconds
I0722 20:05:37.575266 140299376531264 run_docker.py:180] I0722 20:05:37.574331 139991364675392 hhblits.py:128] Launching subprocess "/usr/bin/hhblits -i /mnt/fasta_path_0/WT.fasta -cpu 4 -oa3m /tmp/tmp0ulakgl6/output.a3m -o /dev/null -n 3 -e 0.001 -maxseq 1000000 -realign_max 100000 -maxfilt 100000 -min_prefilter_hits 1000 -d /mnt/bfd_database_path/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt -d /mnt/uniclust30_database_path/uniclust30_2018_08"
I0722 20:05:37.712370 140299376531264 run_docker.py:180] I0722 20:05:37.711311 139991364675392 utils.py:36] Started HHblits query
I0722 20:08:09.339020 140299376531264 run_docker.py:180] I0722 20:08:09.337852 139991364675392 utils.py:40] Finished HHblits query in 151.626 seconds
I0722 20:08:09.339367 140299376531264 run_docker.py:180] E0722 20:08:09.338106 139991364675392 hhblits.py:138] HHblits failed. HHblits stderr begin:
I0722 20:08:09.339584 140299376531264 run_docker.py:180] E0722 20:08:09.338206 139991364675392 hhblits.py:141] - 20:06:04.013 INFO: Searching 65983866 column state sequences.
I0722 20:08:09.339715 140299376531264 run_docker.py:180] E0722 20:08:09.338307 139991364675392 hhblits.py:141] - 20:06:05.029 INFO: Searching 15161831 column state sequences.
I0722 20:08:09.339848 140299376531264 run_docker.py:180] E0722 20:08:09.338404 139991364675392 hhblits.py:141] - 20:06:05.110 INFO: /mnt/fasta_path_0/WT.fasta is in A2M, A3M or FASTA format
I0722 20:08:09.339990 140299376531264 run_docker.py:180] E0722 20:08:09.338509 139991364675392 hhblits.py:141] - 20:06:05.110 INFO: Iteration 1
I0722 20:08:09.340117 140299376531264 run_docker.py:180] E0722 20:08:09.338588 139991364675392 hhblits.py:141] - 20:06:05.253 INFO: Prefiltering database
I0722 20:08:09.340273 140299376531264 run_docker.py:180] E0722 20:08:09.338644 139991364675392 hhblits.py:141] - 20:07:39.225 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 1095737
I0722 20:08:09.340387 140299376531264 run_docker.py:180] E0722 20:08:09.338737 139991364675392 hhblits.py:141] - 20:08:06.155 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 292047
I0722 20:08:09.340512 140299376531264 run_docker.py:180] E0722 20:08:09.338814 139991364675392 hhblits.py:141] - 20:08:07.061 INFO: HMMs passed 2nd prefilter (gapped profile-profile alignment) : 4026
I0722 20:08:09.340633 140299376531264 run_docker.py:180] E0722 20:08:09.338867 139991364675392 hhblits.py:141] - 20:08:07.061 INFO: HMMs passed 2nd prefilter and not found in previous iterations : 4026
I0722 20:08:09.340753 140299376531264 run_docker.py:180] E0722 20:08:09.338946 139991364675392 hhblits.py:141] - 20:08:07.061 INFO: Scoring 4026 HMMs using HMM-HMM Viterbi alignment
I0722 20:08:09.340860 140299376531264 run_docker.py:180] E0722 20:08:09.339032 139991364675392 hhblits.py:141] - 20:08:07.401 INFO: Alternative alignment: 0
I0722 20:08:09.340965 140299376531264 run_docker.py:180] E0722 20:08:09.339116 139991364675392 hhblits.py:142] HHblits stderr end
I0722 20:08:09.343515 140299376531264 run_docker.py:180] Traceback (most recent call last):
I0722 20:08:09.343655 140299376531264 run_docker.py:180] File "/app/alphafold/run_alphafold.py", line 283, in
Sadly the log isn't super useful. You might want to check the hashes of the downloaded database as in the other thread: https://github.com/soedinglab/hh-suite/issues/277
It might be the same issue. Or any other, maybe try on a machine with more memory?
Cool milot I am also trying to download a more recent Uniclust as was suggested the older 2018 didn't seem to work with the bfd version in that other reported problem. I also only have 60GB of memory on this machine so I will try to bump that up too!
Milot I think you were spot on with the memory. I watched it just climb in htop till it barfed. Spinning up a bigger machine!
Thanks again for the help!
I keep getting this error and I have tried a couple different fastas and tried d/l the uniclust30 database again...don't really have any ideas given the output?
I0722 19:43:08.561397 140389550937920 run_docker.py:180] RuntimeError: HHblits failed I0722 19:43:08.561503 140389550937920 run_docker.py:180] stdout: I0722 19:43:08.561609 140389550937920 run_docker.py:180] I0722 19:43:08.561714 140389550937920 run_docker.py:180] I0722 19:43:08.561820 140389550937920 run_docker.py:180] stderr: I0722 19:43:08.561925 140389550937920 run_docker.py:180] - 19:41:03.746 INFO: Searching 65983866 column state sequences. I0722 19:43:08.562031 140389550937920 run_docker.py:180] I0722 19:43:08.562135 140389550937920 run_docker.py:180] - 19:41:04.762 INFO: Searching 15161831 column state sequences. I0722 19:43:08.562241 140389550937920 run_docker.py:180] I0722 19:43:08.562347 140389550937920 run_docker.py:180] - 19:41:04.850 INFO: /mnt/fasta_path_0/WT.fasta is in A2M, A3M or FASTA format I0722 19:43:08.562452 140389550937920 run_docker.py:180] I0722 19:43:08.562558 140389550937920 run_docker.py:180] - 19:41:04.851 INFO: Iteration 1 I0722 19:43:08.562664 140389550937920 run_docker.py:180] I0722 19:43:08.562769 140389550937920 run_docker.py:180] - 19:41:04.993 INFO: Prefiltering database I0722 19:43:08.562874 140389550937920 run_docker.py:180] I0722 19:43:08.562980 140389550937920 run_docker.py:180] - 19:42:36.756 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 1095737 I0722 19:43:08.563086 140389550937920 run_docker.py:180] I0722 19:43:08.563192 140389550937920 run_docker.py:180] - 19:43:05.279 INFO: HMMs passed 1st prefilter (gapless profile-profile alignment) : 292047 I0722 19:43:08.563299 140389550937920 run_docker.py:180] I0722 19:43:08.563404 140389550937920 run_docker.py:180] - 19:43:06.166 INFO: HMMs passed 2nd prefilter (gapped profile-profile alignment) : 4026 I0722 19:43:08.563532 140389550937920 run_docker.py:180] I0722 19:43:08.563639 140389550937920 run_docker.py:180] - 19:43:06.166 INFO: HMMs passed 2nd prefilter and not found in previous iterations : 4026 I0722 19:43:08.563744 140389550937920 run_docker.py:180] I0722 19:43:08.563849 140389550937920 run_docker.py:180] - 19:43:06.166 INFO: Scoring 4026 HMMs using HMM-HMM Viterbi alignment I0722 19:43:08.563955 140389550937920 run_docker.py:180] I0722 19:43:08.564060 140389550937920 run_docker.py:180] - 19:43:06.520 INFO: Alternative alignment: 0