Opened 5 days ago
Closed 5 days ago
#19711 closed defect (can't reproduce)
boltz predict: RuntimeError, ChimeraX not getting job id from RunPod Boltz server
| Reported by: | Owned by: | Tom Goddard | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Prediction | Version: | |
| Keywords: | Cc: | Justin.Sim@… | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-14.5-arm64-arm-64bit
ChimeraX Version: 1.12.dev202601052311 (2026-01-05 23:11:53 UTC)
Description
Retest on UCSF-wpa wifi
203.57.40.132:10290 >>> 30172
Unfortunately, encountered a RuntimeError. I will check in with Justin about anything I may be missing.
Log:
UCSF ChimeraX version: 1.12.dev202601052311 (2026-01-05)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> ui tool show Boltz
> boltz install /Users/keanadavis/boltz22
Successfully created Boltz Python virtual environment
/Users/keanadavis/boltz22.
Now installing Boltz and required packages from PyPi. This may take tens of of
minutes since Boltz uses many other packages totaling about 1 Gbyte of disk
space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb,
numba...
/Users/keanadavis/boltz22/bin/python -m pip install
https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Collecting https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Using cached https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip (2.3
MB)
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
Collecting torch==2.7.1 (from boltz==2.2.0)
Using cached torch-2.7.1-cp311-none-macosx_11_0_arm64.whl.metadata (29 kB)
Requirement already satisfied: numpy<2.0,>=1.26 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from boltz==2.2.0) (1.26.4)
Collecting hydra-core==1.3.2 (from boltz==2.2.0)
Using cached hydra_core-1.3.2-py3-none-any.whl.metadata (5.5 kB)
Collecting pytorch-lightning==2.5.0 (from boltz==2.2.0)
Using cached pytorch_lightning-2.5.0-py3-none-any.whl.metadata (21 kB)
Collecting rdkit>=2024.3.2 (from boltz==2.2.0)
Using cached rdkit-2025.9.3-cp311-cp311-macosx_11_0_arm64.whl.metadata (4.2
kB)
Collecting dm-tree==0.1.8 (from boltz==2.2.0)
Using cached dm_tree-0.1.8-cp311-cp311-macosx_11_0_arm64.whl.metadata (1.9 kB)
Collecting requests==2.32.3 (from boltz==2.2.0)
Using cached requests-2.32.3-py3-none-any.whl.metadata (4.6 kB)
Collecting pandas>=2.2.2 (from boltz==2.2.0)
Using cached pandas-2.3.3-cp311-cp311-macosx_11_0_arm64.whl.metadata (91 kB)
Collecting types-requests (from boltz==2.2.0)
Using cached types_requests-2.32.4.20260107-py3-none-any.whl.metadata (2.0 kB)
Collecting einops==0.8.0 (from boltz==2.2.0)
Using cached einops-0.8.0-py3-none-any.whl.metadata (12 kB)
Collecting einx==0.3.0 (from boltz==2.2.0)
Using cached einx-0.3.0-py3-none-any.whl.metadata (6.9 kB)
Collecting fairscale==0.4.13 (from boltz==2.2.0)
Using cached fairscale-0.4.13-py3-none-any.whl
Collecting mashumaro==3.14 (from boltz==2.2.0)
Using cached mashumaro-3.14-py3-none-any.whl.metadata (114 kB)
Collecting modelcif==1.2 (from boltz==2.2.0)
Using cached modelcif-1.2-py3-none-any.whl
Collecting wandb==0.18.7 (from boltz==2.2.0)
Using cached wandb-0.18.7-py3-none-macosx_11_0_arm64.whl.metadata (9.7 kB)
Collecting click==8.1.7 (from boltz==2.2.0)
Using cached click-8.1.7-py3-none-any.whl.metadata (3.0 kB)
Collecting pyyaml==6.0.2 (from boltz==2.2.0)
Using cached PyYAML-6.0.2-cp311-cp311-macosx_11_0_arm64.whl.metadata (2.1 kB)
Collecting biopython==1.84 (from boltz==2.2.0)
Using cached biopython-1.84-cp311-cp311-macosx_11_0_arm64.whl.metadata (12 kB)
Collecting scipy==1.13.1 (from boltz==2.2.0)
Using cached scipy-1.13.1-cp311-cp311-macosx_12_0_arm64.whl.metadata (60 kB)
Collecting numba==0.61.0 (from boltz==2.2.0)
Using cached numba-0.61.0-cp311-cp311-macosx_11_0_arm64.whl.metadata (2.7 kB)
Collecting gemmi==0.6.5 (from boltz==2.2.0)
Using cached gemmi-0.6.5-cp311-cp311-macosx_11_0_arm64.whl.metadata (2.3 kB)
Collecting scikit-learn==1.6.1 (from boltz==2.2.0)
Using cached scikit_learn-1.6.1-cp311-cp311-macosx_12_0_arm64.whl.metadata (31
kB)
Collecting chembl_structure_pipeline==1.2.2 (from boltz==2.2.0)
Using cached chembl_structure_pipeline-1.2.2-py3-none-any.whl.metadata (3.9
kB)
Collecting cuequivariance_torch>=0.5.0 (from boltz==2.2.0)
Using cached cuequivariance_torch-0.8.0-py3-none-any.whl.metadata (15 kB)
Requirement already satisfied: setuptools>=46.4.0 in
/Users/keanadavis/boltz22/lib/python3.11/site-packages (from
chembl_structure_pipeline==1.2.2->boltz==2.2.0) (65.5.0)
Collecting sympy (from einx==0.3.0->boltz==2.2.0)
Using cached sympy-1.14.0-py3-none-any.whl.metadata (12 kB)
Collecting frozendict (from einx==0.3.0->boltz==2.2.0)
Using cached frozendict-2.4.7-py3-none-any.whl.metadata (23 kB)
Collecting omegaconf<2.4,>=2.2 (from hydra-core==1.3.2->boltz==2.2.0)
Using cached omegaconf-2.3.0-py3-none-any.whl.metadata (3.9 kB)
Collecting antlr4-python3-runtime==4.9.* (from hydra-
core==1.3.2->boltz==2.2.0)
Using cached antlr4_python3_runtime-4.9.3-py3-none-any.whl
Requirement already satisfied: packaging in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from hydra-core==1.3.2->boltz==2.2.0) (25.0)
Requirement already satisfied: typing-extensions>=4.1.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from mashumaro==3.14->boltz==2.2.0) (4.15.0)
Requirement already satisfied: ihm>=1.7 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from modelcif==1.2->boltz==2.2.0) (2.2)
Collecting llvmlite<0.45,>=0.44.0dev0 (from numba==0.61.0->boltz==2.2.0)
Using cached llvmlite-0.44.0-cp311-cp311-macosx_11_0_arm64.whl.metadata (4.8
kB)
Collecting tqdm>=4.57.0 (from pytorch-lightning==2.5.0->boltz==2.2.0)
Using cached tqdm-4.67.1-py3-none-any.whl.metadata (57 kB)
Collecting fsspec>=2022.5.0 (from fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0)
Downloading fsspec-2026.1.0-py3-none-any.whl.metadata (10 kB)
Collecting torchmetrics>=0.7.0 (from pytorch-lightning==2.5.0->boltz==2.2.0)
Using cached torchmetrics-1.8.2-py3-none-any.whl.metadata (22 kB)
Collecting lightning-utilities>=0.10.0 (from pytorch-
lightning==2.5.0->boltz==2.2.0)
Using cached lightning_utilities-0.15.2-py3-none-any.whl.metadata (5.7 kB)
Requirement already satisfied: charset-normalizer<4,>=2 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from requests==2.32.3->boltz==2.2.0) (3.4.4)
Requirement already satisfied: idna<4,>=2.5 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from requests==2.32.3->boltz==2.2.0) (3.11)
Requirement already satisfied: urllib3<3,>=1.21.1 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from requests==2.32.3->boltz==2.2.0) (2.6.2)
Requirement already satisfied: certifi>=2017.4.17 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from requests==2.32.3->boltz==2.2.0) (2025.7.14)
Collecting joblib>=1.2.0 (from scikit-learn==1.6.1->boltz==2.2.0)
Using cached joblib-1.5.3-py3-none-any.whl.metadata (5.5 kB)
Collecting threadpoolctl>=3.1.0 (from scikit-learn==1.6.1->boltz==2.2.0)
Using cached threadpoolctl-3.6.0-py3-none-any.whl.metadata (13 kB)
Requirement already satisfied: filelock in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from torch==2.7.1->boltz==2.2.0) (3.19.1)
Requirement already satisfied: networkx in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from torch==2.7.1->boltz==2.2.0) (3.3)
Requirement already satisfied: jinja2 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from torch==2.7.1->boltz==2.2.0) (3.1.6)
Collecting docker-pycreds>=0.4.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached docker_pycreds-0.4.0-py2.py3-none-any.whl.metadata (1.8 kB)
Collecting gitpython!=3.1.29,>=1.0.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached gitpython-3.1.46-py3-none-any.whl.metadata (13 kB)
Requirement already satisfied: platformdirs in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from wandb==0.18.7->boltz==2.2.0) (4.5.1)
Collecting protobuf!=4.21.0,!=5.28.0,<6,>=3.19.0 (from
wandb==0.18.7->boltz==2.2.0)
Using cached protobuf-5.29.5-cp38-abi3-macosx_10_9_universal2.whl.metadata
(592 bytes)
Requirement already satisfied: psutil>=5.0.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from wandb==0.18.7->boltz==2.2.0) (7.0.0)
Collecting sentry-sdk>=2.0.0 (from wandb==0.18.7->boltz==2.2.0)
Using cached sentry_sdk-2.49.0-py2.py3-none-any.whl.metadata (10 kB)
Collecting setproctitle (from wandb==0.18.7->boltz==2.2.0)
Using cached setproctitle-1.3.7-cp311-cp311-macosx_11_0_arm64.whl.metadata (10
kB)
Collecting cuequivariance (from cuequivariance_torch>=0.5.0->boltz==2.2.0)
Using cached cuequivariance-0.8.0-py3-none-any.whl.metadata (15 kB)
Requirement already satisfied: python-dateutil>=2.8.2 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from pandas>=2.2.2->boltz==2.2.0) (2.9.0.post0)
Requirement already satisfied: pytz>=2020.1 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from pandas>=2.2.2->boltz==2.2.0) (2025.2)
Requirement already satisfied: tzdata>=2022.7 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from pandas>=2.2.2->boltz==2.2.0) (2025.3)
Requirement already satisfied: Pillow in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from rdkit>=2024.3.2->boltz==2.2.0) (11.3.0)
Requirement already satisfied: six>=1.4.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from docker-pycreds>=0.4.0->wandb==0.18.7->boltz==2.2.0) (1.17.0)
Requirement already satisfied: aiohttp!=4.0.0a0,!=4.0.0a1 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from fsspec[http]>=2022.5.0->pytorch-lightning==2.5.0->boltz==2.2.0)
(3.13.1)
Collecting gitdb<5,>=4.0.1 (from
gitpython!=3.1.29,>=1.0.0->wandb==0.18.7->boltz==2.2.0)
Using cached gitdb-4.0.12-py3-none-any.whl.metadata (1.2 kB)
Requirement already satisfied: msgpack in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from ihm>=1.7->modelcif==1.2->boltz==2.2.0) (1.1.1)
Collecting mpmath<1.4,>=1.1.0 (from sympy->einx==0.3.0->boltz==2.2.0)
Using cached mpmath-1.3.0-py3-none-any.whl.metadata (8.6 kB)
Collecting opt-einsum (from
cuequivariance->cuequivariance_torch>=0.5.0->boltz==2.2.0)
Using cached opt_einsum-3.4.0-py3-none-any.whl.metadata (6.3 kB)
Requirement already satisfied: MarkupSafe>=2.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from jinja2->torch==2.7.1->boltz==2.2.0) (3.0.3)
Requirement already satisfied: aiohappyeyeballs>=2.5.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (2.6.1)
Requirement already satisfied: aiosignal>=1.4.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.4.0)
Requirement already satisfied: attrs>=17.3.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (25.4.0)
Requirement already satisfied: frozenlist>=1.1.1 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.8.0)
Requirement already satisfied: multidict<7.0,>=4.5 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (6.7.0)
Requirement already satisfied: propcache>=0.2.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (0.4.1)
Requirement already satisfied: yarl<2.0,>=1.17.0 in
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages (from aiohttp!=4.0.0a0,!=4.0.0a1->fsspec[http]>=2022.5.0->pytorch-
lightning==2.5.0->boltz==2.2.0) (1.22.0)
Collecting smmap<6,>=3.0.1 (from
gitdb<5,>=4.0.1->gitpython!=3.1.29,>=1.0.0->wandb==0.18.7->boltz==2.2.0)
Using cached smmap-5.0.2-py3-none-any.whl.metadata (4.3 kB)
Using cached biopython-1.84-cp311-cp311-macosx_11_0_arm64.whl (2.7 MB)
Using cached chembl_structure_pipeline-1.2.2-py3-none-any.whl (17 kB)
Using cached click-8.1.7-py3-none-any.whl (97 kB)
Using cached dm_tree-0.1.8-cp311-cp311-macosx_11_0_arm64.whl (110 kB)
Using cached einops-0.8.0-py3-none-any.whl (43 kB)
Using cached einx-0.3.0-py3-none-any.whl (102 kB)
Using cached gemmi-0.6.5-cp311-cp311-macosx_11_0_arm64.whl (3.0 MB)
Using cached hydra_core-1.3.2-py3-none-any.whl (154 kB)
Using cached mashumaro-3.14-py3-none-any.whl (92 kB)
Using cached numba-0.61.0-cp311-cp311-macosx_11_0_arm64.whl (2.8 MB)
Using cached pytorch_lightning-2.5.0-py3-none-any.whl (819 kB)
Using cached PyYAML-6.0.2-cp311-cp311-macosx_11_0_arm64.whl (172 kB)
Using cached requests-2.32.3-py3-none-any.whl (64 kB)
Using cached scikit_learn-1.6.1-cp311-cp311-macosx_12_0_arm64.whl (11.1 MB)
Using cached scipy-1.13.1-cp311-cp311-macosx_12_0_arm64.whl (30.3 MB)
Using cached torch-2.7.1-cp311-none-macosx_11_0_arm64.whl (68.6 MB)
Using cached wandb-0.18.7-py3-none-macosx_11_0_arm64.whl (15.2 MB)
Using cached cuequivariance_torch-0.8.0-py3-none-any.whl (216 kB)
Using cached pandas-2.3.3-cp311-cp311-macosx_11_0_arm64.whl (10.8 MB)
Using cached rdkit-2025.9.3-cp311-cp311-macosx_11_0_arm64.whl (29.3 MB)
Using cached types_requests-2.32.4.20260107-py3-none-any.whl (20 kB)
Using cached docker_pycreds-0.4.0-py2.py3-none-any.whl (9.0 kB)
Downloading fsspec-2026.1.0-py3-none-any.whl (201 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 201.8/201.8 kB 3.1 MB/s eta 0:00:00
Using cached gitpython-3.1.46-py3-none-any.whl (208 kB)
Using cached joblib-1.5.3-py3-none-any.whl (309 kB)
Using cached lightning_utilities-0.15.2-py3-none-any.whl (29 kB)
Using cached llvmlite-0.44.0-cp311-cp311-macosx_11_0_arm64.whl (26.2 MB)
Using cached omegaconf-2.3.0-py3-none-any.whl (79 kB)
Using cached protobuf-5.29.5-cp38-abi3-macosx_10_9_universal2.whl (418 kB)
Using cached sentry_sdk-2.49.0-py2.py3-none-any.whl (415 kB)
Using cached sympy-1.14.0-py3-none-any.whl (6.3 MB)
Using cached threadpoolctl-3.6.0-py3-none-any.whl (18 kB)
Using cached torchmetrics-1.8.2-py3-none-any.whl (983 kB)
Using cached tqdm-4.67.1-py3-none-any.whl (78 kB)
Using cached cuequivariance-0.8.0-py3-none-any.whl (266 kB)
Using cached frozendict-2.4.7-py3-none-any.whl (16 kB)
Using cached setproctitle-1.3.7-cp311-cp311-macosx_11_0_arm64.whl (13 kB)
Using cached gitdb-4.0.12-py3-none-any.whl (62 kB)
Using cached mpmath-1.3.0-py3-none-any.whl (536 kB)
Using cached opt_einsum-3.4.0-py3-none-any.whl (71 kB)
Using cached smmap-5.0.2-py3-none-any.whl (24 kB)
Building wheels for collected packages: boltz
Building wheel for boltz (pyproject.toml): started
Building wheel for boltz (pyproject.toml): finished with status 'done'
Created wheel for boltz: filename=boltz-2.2.0-py3-none-any.whl size=268988
sha256=5bdbe24a54745231e1bccf9516936ca1ac8b9e2abbe8f0919882f66bdd99e619
Stored in directory:
/private/var/folders/4z/xqjmk1yj1hq5d_t4b3zkfkp80000gp/T/pip-ephem-wheel-
cache-1y8b6_i6/wheels/26/ba/5c/a8ae06e77eb74d03f129cbbe5d93bfea3b1259fabe4f838af4
Successfully built boltz
Installing collected packages: mpmath, dm-tree, antlr4-python3-runtime, types-
requests, tqdm, threadpoolctl, sympy, smmap, setproctitle, sentry-sdk, scipy,
requests, rdkit, pyyaml, protobuf, opt-einsum, mashumaro, llvmlite, lightning-
utilities, joblib, gemmi, fsspec, frozendict, einops, docker-pycreds, click,
biopython, torch, scikit-learn, pandas, omegaconf, numba, modelcif, gitdb,
einx, cuequivariance, chembl_structure_pipeline, torchmetrics, hydra-core,
gitpython, fairscale, cuequivariance_torch, wandb, pytorch-lightning, boltz
Attempting uninstall: scipy
Found existing installation: scipy 1.14.0
Not uninstalling scipy at
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages, outside environment /Users/keanadavis/boltz22
Can't uninstall 'scipy'. No files were found to uninstall.
Attempting uninstall: requests
Found existing installation: requests 2.32.5
Not uninstalling requests at
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages, outside environment /Users/keanadavis/boltz22
Can't uninstall 'requests'. No files were found to uninstall.
Attempting uninstall: click
Found existing installation: click 8.3.1
Not uninstalling click at
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages, outside environment /Users/keanadavis/boltz22
Can't uninstall 'click'. No files were found to uninstall.
Successfully installed antlr4-python3-runtime-4.9.3 biopython-1.84 boltz-2.2.0
chembl_structure_pipeline-1.2.2 click-8.1.7 cuequivariance-0.8.0
cuequivariance_torch-0.8.0 dm-tree-0.1.8 docker-pycreds-0.4.0 einops-0.8.0
einx-0.3.0 fairscale-0.4.13 frozendict-2.4.7 fsspec-2026.1.0 gemmi-0.6.5
gitdb-4.0.12 gitpython-3.1.46 hydra-core-1.3.2 joblib-1.5.3 lightning-
utilities-0.15.2 llvmlite-0.44.0 mashumaro-3.14 modelcif-1.2 mpmath-1.3.0
numba-0.61.0 omegaconf-2.3.0 opt-einsum-3.4.0 pandas-2.3.3 protobuf-5.29.5
pytorch-lightning-2.5.0 pyyaml-6.0.2 rdkit-2025.9.3 requests-2.32.3 scikit-
learn-1.6.1 scipy-1.13.1 sentry-sdk-2.49.0 setproctitle-1.3.7 smmap-5.0.2
sympy-1.14.0 threadpoolctl-3.6.0 torch-2.7.1 torchmetrics-1.8.2 tqdm-4.67.1
types-requests-2.32.4.20260107 wandb-0.18.7
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/keanadavis/boltz22/bin/python -m pip install
--upgrade pip
Downloading Boltz model parameters (4 GB) and chemical component database (1.8
GB) to ~/.boltz
/Users/keanadavis/boltz22/bin/python
/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/download_weights_and_ccd.py
Boltz model parameters and CCD database are installed in ~/.boltz
Successfully installed Boltz program and neural net weights.
QTextCursor::setPosition: Position '1' out of range
[Repeated 15 time(s)]
No molecules specified for Boltz prediction
> boltz predict protein
> MLANENSLLTMFRELGSGKLPLQIEQFERGKTIFFPGDPAERVYLLVKGAVKLSRVYESGEEITVALLRENSVFGVLSLLTGQRSDRFYHAVAFTPVQLFSVPIEFMQKALIERPELANVMLQGLSSRILQTEMMIETLAHRDMGSRLVSFLLILCRDFGIPSPDGITIDLKLSHQAIAEAIGSTRVTVTRLLGDLRESKLIAIHKKRITVFNPVALSQQFS
> name NTCA useServer true serverHost 203.57.40.206 serverPort 10237
Running Boltz prediction of protein with 222 residues on gpu
Using cached multiple sequence alignment
/Users/keanadavis/Downloads/ChimeraX/BoltzMSA/boltz_1
Sending job request to server (656463 bytes)
Traceback (most recent call last):
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 595, in _predict
self._run_prediction(options = ' '.join(options))
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 612, in _run_prediction
br = run(self.session, cmd)
^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3237, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 87, in boltz_predict
br.start()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 559, in start
self._run_boltz()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 669, in _run_boltz
self._run_on_server()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 706, in _run_on_server
job_id = predict_on_server(run_dir, self._server_host, self._server_port)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 290, in predict_on_server
msg = send_to_server(zip_data, host, port)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 334, in send_to_server
client_socket.send(zip_data)
BrokenPipeError: [Errno 32] Broken pipe
BrokenPipeError: [Errno 32] Broken pipe
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 334, in send_to_server
client_socket.send(zip_data)
See log for complete Python traceback.
> boltz predict protein
> MLANENSLLTMFRELGSGKLPLQIEQFERGKTIFFPGDPAERVYLLVKGAVKLSRVYESGEEITVALLRENSVFGVLSLLTGQRSDRFYHAVAFTPVQLFSVPIEFMQKALIERPELANVMLQGLSSRILQTEMMIETLAHRDMGSRLVSFLLILCRDFGIPSPDGITIDLKLSHQAIAEAIGSTRVTVTRLLGDLRESKLIAIHKKRITVFNPVALSQQFS
> name NTCA useServer true serverHost 203.57.40.132 serverPort 10290
Running Boltz prediction of protein with 222 residues on gpu
Using cached multiple sequence alignment
/Users/keanadavis/Downloads/ChimeraX/BoltzMSA/boltz_1
Sending job request to server (656463 bytes)
Traceback (most recent call last):
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 595, in _predict
self._run_prediction(options = ' '.join(options))
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 612, in _run_prediction
br = run(self.session, cmd)
^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3237, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 87, in boltz_predict
br.start()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 559, in start
self._run_boltz()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 669, in _run_boltz
self._run_on_server()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 706, in _run_on_server
job_id = predict_on_server(run_dir, self._server_host, self._server_port)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 298, in predict_on_server
raise RuntimeError(msg.decode('utf-8'))
RuntimeError
RuntimeError
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 298, in predict_on_server
raise RuntimeError(msg.decode('utf-8'))
See log for complete Python traceback.
> boltz predict protein
> MLANENSLLTMFRELGSGKLPLQIEQFERGKTIFFPGDPAERVYLLVKGAVKLSRVYESGEEITVALLRENSVFGVLSLLTGQRSDRFYHAVAFTPVQLFSVPIEFMQKALIERPELANVMLQGLSSRILQTEMMIETLAHRDMGSRLVSFLLILCRDFGIPSPDGITIDLKLSHQAIAEAIGSTRVTVTRLLGDLRESKLIAIHKKRITVFNPVALSQQFS
> name NTCA useServer true serverHost 203.57.40.132 serverPort 10290
Running Boltz prediction of protein with 222 residues on gpu
Using cached multiple sequence alignment
/Users/keanadavis/Downloads/ChimeraX/BoltzMSA/boltz_1
Sending job request to server (656463 bytes)
Traceback (most recent call last):
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 595, in _predict
self._run_prediction(options = ' '.join(options))
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/boltz_gui.py", line 612, in _run_prediction
br = run(self.session, cmd)
^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3237, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 87, in boltz_predict
br.start()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 559, in start
self._run_boltz()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 669, in _run_boltz
self._run_on_server()
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/predict.py", line 706, in _run_on_server
job_id = predict_on_server(run_dir, self._server_host, self._server_port)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 298, in predict_on_server
raise RuntimeError(msg.decode('utf-8'))
RuntimeError
RuntimeError
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/boltz/server.py", line 298, in predict_on_server
raise RuntimeError(msg.decode('utf-8'))
See log for complete Python traceback.
OpenGL version: 4.1 Metal - 88.1
OpenGL renderer: Apple M2
OpenGL vendor: Apple
Python: 3.11.9
Locale: UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Air
Model Identifier: Mac14,2
Model Number: MLXW3LL/A
Chip: Apple M2
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 8 GB
System Firmware Version: 10151.121.1
OS Loader Version: 10151.121.1
Software:
System Software Overview:
System Version: macOS 14.5 (23F79)
Kernel Version: Darwin 23.5.0
Time since boot: 23 days, 19 minutes
Graphics/Displays:
Apple M2:
Chipset Model: Apple M2
Type: GPU
Bus: Built-In
Total Number of Cores: 8
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina Display
Resolution: 2560 x 1664 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
aiohappyeyeballs: 2.6.1
aiohttp: 3.13.1
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.12.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.1
attrs: 25.4.0
babel: 2.17.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 3.12.2
build: 1.3.0
certifi: 2025.7.14
cftime: 1.6.5
charset-normalizer: 3.4.4
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.1.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.61.5
ChimeraX-AtomicLibrary: 14.2.3
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12.dev202601052311
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.8
ChimeraX-Label: 1.3
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.2
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.1.0
ChimeraX-MDcrds: 2.17.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.2
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
ChimeraX-ModelPanel: 1.6
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0.1
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.15.2
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.12
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.4.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.7
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.10
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.3
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.2
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.50
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.5.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.3.1
colorama: 0.4.6
comm: 0.2.3
contourpy: 1.3.3
coverage: 7.13.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.1.4
debugpy: 1.8.19
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.61.1
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.15.1
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.11
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.3.0
ipykernel: 6.30.1
ipython: 9.5.0
ipython_pygments_lexers: 1.1.1
ipywidgets: 8.1.8
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.25.1
jsonschema-specifications: 2025.9.1
jupyter_client: 8.6.3
jupyter_core: 5.9.1
jupyterlab_widgets: 3.0.16
kiwisolver: 1.4.9
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
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File attachment: Screenshot 2026-01-09 at 10.49.26 AM.png
Attachments (1)
Change History (4)
by , 5 days ago
| Attachment: | Screenshot 2026-01-09 at 10.49.26 AM.png added |
|---|
comment:1 by , 5 days ago
| Component: | Unassigned → Structure Prediction |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → boltz predict: RuntimeError |
comment:2 by , 5 days ago
| Cc: | added |
|---|---|
| Summary: | boltz predict: RuntimeError → boltz predict: RuntimeError, ChimeraX not getting job id from RunPod Boltz server |
Thanks Keana! Very useful and disturbing, since Justin was able to get the Boltz server working with the pre-installed Boltz. So your result makes me think it was just good luck. I suspect the fundamental problem that makes it always work for me on UCSF WPA wifi for the last month, but not work for you or the students is that all of your laptops have UCSF security software installed and mine does not. Somehow that software prevents ChimeraX from getting the response from the Boltz server that is giving the job identifier. That is the meaning of the "RuntimeError". (Last night I fixed the error handling in ChimeraX so it gives a better error message.)
My goal is to figure out how to get RunPod Boltz to work for the students to do team projects. I was hoping this morning that Justin's experience where it worked with his laptop meant it would work for everyone else, but it is very helpful to know it is not that simple. I need to think about what the next try will be. We'll get this to work.
comment:3 by , 5 days ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | assigned → closed |
This report where Keana gets a RuntimeError indicating ChimeraX did not receive a response from RunPod Boltz server is the one case where we have seen this with the US-IL-1 datacenter (using network drive Boltz). Keana, Justin and I have also had it run successfully with that data center and Justin and I have not seen it fail. So it seems this bug report is the one instance where we have seen it fail with the RunPod network drive so far.
The plan is to see if it works for the students so they can do their team projects.
Added by email2trac