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August 22, 2023 09:53
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error when running colabfold_batch
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2023-08-22 18:58:05,566 Running colabfold 1.3.0 (26de12d3afb5f85d49d0c7db1b9371f034388395) | |
2023-08-22 18:58:28,127 Unable to initialize backend 'tpu_driver': NOT_FOUND: Unable to find driver in registry given worker: | |
2023-08-22 18:58:28,382 Unable to initialize backend 'tpu': INVALID_ARGUMENT: TpuPlatform is not available. | |
2023-08-22 18:58:35,545 generated new fontManager | |
Traceback (most recent call last): | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/bin/colabfold_batch", line 8, in <module> | |
sys.exit(main()) | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/colabfold/batch.py", line 1728, in main | |
run( | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/colabfold/batch.py", line 1210, in run | |
from colabfold.alphafold.models import load_models_and_params | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/colabfold/alphafold/models.py", line 7, in <module> | |
from alphafold.model import model, config, data | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/alphafold/model/model.py", line 20, in <module> | |
from alphafold.model import features | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/alphafold/model/features.py", line 19, in <module> | |
from alphafold.model.tf import input_pipeline | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/alphafold/model/tf/input_pipeline.py", line 17, in <module> | |
from alphafold.model.tf import data_transforms | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/alphafold/model/tf/data_transforms.py", line 18, in <module> | |
from alphafold.model.tf import shape_helpers | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/alphafold/model/tf/shape_helpers.py", line 16, in <module> | |
import tensorflow.compat.v1 as tf | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/__init__.py", line 41, in <module> | |
from tensorflow.python.tools import module_util as _module_util | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/python/__init__.py", line 41, in <module> | |
from tensorflow.python.eager import context | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/python/eager/context.py", line 33, in <module> | |
from tensorflow.core.framework import function_pb2 | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/core/framework/function_pb2.py", line 16, in <module> | |
from tensorflow.core.framework import attr_value_pb2 as tensorflow_dot_core_dot_framework_dot_attr__value__pb2 | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/core/framework/attr_value_pb2.py", line 16, in <module> | |
from tensorflow.core.framework import tensor_pb2 as tensorflow_dot_core_dot_framework_dot_tensor__pb2 | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/core/framework/tensor_pb2.py", line 16, in <module> | |
from tensorflow.core.framework import resource_handle_pb2 as tensorflow_dot_core_dot_framework_dot_resource__handle__pb2 | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/core/framework/resource_handle_pb2.py", line 16, in <module> | |
from tensorflow.core.framework import tensor_shape_pb2 as tensorflow_dot_core_dot_framework_dot_tensor__shape__pb2 | |
File "/g/data/if89/apps/colabfold_batch/1.4.0/python3/3.9.2/lib/python3.9/site-packages/tensorflow/core/framework/tensor_shape_pb2.py", line 36, in <module> | |
_descriptor.FieldDescriptor( | |
File "/home/005/ml0997/.local/lib/python3.9/site-packages/google/protobuf/descriptor.py", line 561, in __new__ | |
_message.Message._CheckCalledFromGeneratedFile() | |
TypeError: Descriptors cannot not be created directly. | |
If this call came from a _pb2.py file, your generated code is out of date and must be regenerated with protoc >= 3.19.0. | |
If you cannot immediately regenerate your protos, some other possible workarounds are: | |
1. Downgrade the protobuf package to 3.20.x or lower. | |
2. Set PROTOCOL_BUFFERS_PYTHON_IMPLEMENTATION=python (but this will use pure-Python parsing and will be much slower). | |
More information: https://developers.google.com/protocol-buffers/docs/news/2022-05-06#python-updates | |
====================================================================================== | |
Resource Usage on 2023-08-22 18:58:57: | |
Job Id: 93195220.gadi-pbs | |
Project: kx58 | |
Exit Status: 0 | |
Service Units: 0.62 | |
NCPUs Requested: 12 NCPUs Used: 12 | |
CPU Time Used: 00:00:07 | |
Memory Requested: 48.0GB Memory Used: 1.22GB | |
NGPUs Requested: 1 GPU Utilisation: 0% | |
GPU Memory Used: 308.0MB | |
Walltime requested: 12:00:00 Walltime Used: 00:01:02 | |
JobFS requested: 1.0GB JobFS used: 0B | |
====================================================================================== |
Author
linminhtoo
commented
Aug 22, 2023
#!/bin/bash
#PBS -P kx58
#PBS -q normal
#PBS -l ncpus=24
#PBS -l mem=100GB
#PBS -l walltime=3:00:00
#PBS -l jobfs=1GB
#PBS -l wd
#PBS -l storage=gdata/if89+scratch/kx58
#PBS -M "[email protected]"
#PBS -m abe
module use /g/data/if89/apps/modulefiles
module load colabfold_batch/1.4.0
# see https://opus.nci.org.au/display/Help/Colabfold
DATE=$(date +%d_%m_%Y_%H_%M_%S)
log_dir="/scratch/kx58/ml0997/colabfold_logs"
mkdir -p "${log_dir}"
# FYI: took 49 mins for chignolin, 12 CPUs = 41 SUs
# 24 CPUs = 41 mins, not much faster. better to use 12 CPUs.
run_name="1uao_chignolin_24cpus"
num_threads=24
in_path="/home/005/ml0997/colabfold/data/1uao_chignolin.fasta"
out_folder="/home/005/ml0997/colabfold/search_outputs/${run_name}/"
mkdir -p ${out_folder}
colabfold_search --db-load-mode 1 --threads ${num_threads} \
${in_path} \
$COLABFOLDDIR/database \
${out_folder} \
2>&1 | tee "${log_dir}/${run_name}_search_${DATE}.log"
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