Opened 18 months ago
Last modified 18 months ago
#15101 assigned defect
ISOLDE: start_sim: Error initializing CUDA
Reported by: | Owned by: | Tristan Croll | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Third Party | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Linux-6.5.0-28-generic-x86_64-with-glibc2.35 ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC) Description (Describe the actions that caused this problem to occur here) Log: Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle UCSF ChimeraX version: 1.7.1 (2024-01-23) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open > /home/yashaswini/Downloads/Amyloid_lipid_internship/L1/amyloid_beta_1-40_L1_final.pdb > format pdb Chain information for amyloid_beta_1-40_L1_final.pdb #1 --- Chain | Description A B C D E F G H I J | No description available Drag select of 26 atoms > isolde start > set selectionWidth 4 Done loading forcefield > isolde set simFidelityMode Medium/Medium ISOLDE: setting sim fidelity mode to Medium/Medium nonbonded_cutoff_distance = 0.900000 use_gbsa = True gbsa_cutoff = 1.100000 ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side chains... ISOLDE: Corrected atom nomenclature of 10 residues in model #1 to IUPAC-IUB standards. Chain information for amyloid_beta_1-40_L1_final.pdb --- Chain | Description 1.2/A 1.2/B 1.2/C 1.2/D 1.2/E 1.2/F 1.2/G 1.2/H 1.2/I 1.2/J | No description available > isolde sim start /D,F:32 > open > /home/yashaswini/Downloads/Amyloid_lipid_internship/L1/postprocess_masked_SymImposed.mrc Opened postprocess_masked_SymImposed.mrc as #2, grid size 250,250,250, pixel 1.05, shown at level 0.0369, step 1, values float32 > isolde sim start /D,F:32 > clipper associate #2 toModel #1 Opened postprocess_masked_SymImposed.mrc as #1.1.1.1, grid size 250,250,250, pixel 1.05, shown at step 1, values float32 > isolde sim start /D,F:32 Sim termination reason: None ISOLDE: stopped sim > addh #1.2 Summary of feedback from adding hydrogens to amyloid_beta_1-40_L1_final.pdb #1.2 --- notes | No usable SEQRES records for amyloid_beta_1-40_L1_final.pdb (#1.2) chain A; guessing termini instead No usable SEQRES records for amyloid_beta_1-40_L1_final.pdb (#1.2) chain B; guessing termini instead No usable SEQRES records for amyloid_beta_1-40_L1_final.pdb (#1.2) chain C; guessing termini instead No usable SEQRES records for amyloid_beta_1-40_L1_final.pdb (#1.2) chain D; guessing termini instead No usable SEQRES records for amyloid_beta_1-40_L1_final.pdb (#1.2) chain E; guessing termini instead 5 messages similar to the above omitted Chain-initial residues that are actual N termini: /A ASP 1, /B ASP 1, /C ASP 1, /D ASP 1, /E ASP 1, /F ASP 1, /G ASP 1, /H ASP 1, /I ASP 1, /J ASP 1 Chain-initial residues that are not actual N termini: Chain-final residues that are actual C termini: /A VAL 40, /B VAL 40, /C VAL 40, /D VAL 40, /E VAL 40, /F VAL 40, /G VAL 40, /H VAL 40, /I VAL 40, /J VAL 40 Chain-final residues that are not actual C termini: 389 hydrogen bonds 2920 hydrogens added > isolde sim start /D,F:29-35 Launching using CUDA failed with the below message. Falling back to using OpenCL. Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at /home/tcroll/openmm_build_env/openmm/platforms/cuda/src/CudaContext.cpp:140 Traceback (most recent call last): File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1432, in start_sim self._prepare_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1377, in _prepare_sim s = self._simulation = app.Simulation(self.topology, self._system, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/openmm/app/simulation.py", line 103, in __init__ self.context = mm.Context(self.system, self.integrator, platform, platformProperties) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/openmm/openmm.py", line 5931, in __init__ this = _openmm.new_Context(*args) ^^^^^^^^^^^^^^^^^^^^^^^^^^ openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at /home/tcroll/openmm_build_env/openmm/platforms/cuda/src/CudaContext.cpp:140 During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/toolbar/tool.py", line 205, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 397, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1302, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/__init__.py", line 183, in run_provider toolbar_command(session, name) File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/toolbar.py", line 21, in toolbar_command run(session, f'isolde sim start {_current_residue_sel_string(session)}') File "/usr/lib/ucsf-chimerax/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 "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/cmd/cmd.py", line 122, in isolde_sim isolde.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/isolde.py", line 896, in start_sim sm.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 401, in start_sim sh.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1437, in start_sim self._prepare_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1364, in _prepare_sim platform = openmm.Platform.getPlatformByName(params.platform) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/openmm/openmm.py", line 11789, in getPlatformByName return _openmm.Platform_getPlatformByName(name) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ openmm.OpenMMException: There is no registered Platform called "OpenCL" openmm.OpenMMException: There is no registered Platform called "OpenCL" File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/openmm/openmm.py", line 11789, in getPlatformByName return _openmm.Platform_getPlatformByName(name) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > isolde sim start /D,F:26-38 Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/toolbar/tool.py", line 205, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/toolshed/info.py", line 397, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/toolshed/__init__.py", line 1302, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/__init__.py", line 183, in run_provider toolbar_command(session, name) File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/toolbar.py", line 21, in toolbar_command run(session, f'isolde sim start {_current_residue_sel_string(session)}') File "/usr/lib/ucsf-chimerax/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 "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/cmd/cmd.py", line 122, in isolde_sim isolde.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/isolde.py", line 896, in start_sim sm.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 401, in start_sim sh.start_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1432, in start_sim self._prepare_sim() File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1364, in _prepare_sim platform = openmm.Platform.getPlatformByName(params.platform) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/openmm/openmm.py", line 11789, in getPlatformByName return _openmm.Platform_getPlatformByName(name) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ openmm.OpenMMException: There is no registered Platform called "OpenCL" openmm.OpenMMException: There is no registered Platform called "OpenCL" File "/usr/lib/ucsf-chimerax/lib/python3.11/site-packages/openmm/openmm.py", line 11789, in getPlatformByName return _openmm.Platform_getPlatformByName(name) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. Traceback (most recent call last): File "/usr/lib/ucsf-chimerax/lib/python3.11/site- packages/chimerax/core/triggerset.py", line 149, in invoke return self._func(self._name, data) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 909, in _dihe_r_changed_cb self.sim_handler.update_dihedral_restraints(all_changeds) File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/openmm_interface.py", line 1816, in update_dihedral_restraints force.update_targets(restraints.sim_indices, File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/custom_forces.py", line 1301, in update_targets _openmm_force_ext.customtorsionforce_update_torsion_parameters(int(self.this), indices, params) RuntimeError: Assertion failure at CustomTorsionForce.cpp:118. Index out of range Error processing trigger "changes": RuntimeError: Assertion failure at CustomTorsionForce.cpp:118. Index out of range File "/home/yashaswini/.local/share/ChimeraX/1.7/lib/python3.11/site- packages/chimerax/isolde/openmm/custom_forces.py", line 1301, in update_targets _openmm_force_ext.customtorsionforce_update_torsion_parameters(int(self.this), indices, params) See log for complete Python traceback. OpenGL version: 4.6 (Core Profile) Mesa 23.2.1-1ubuntu3.1~22.04.2 OpenGL renderer: Mesa Intel(R) Xe Graphics (TGL GT2) OpenGL vendor: Intel Python: 3.11.2 Locale: en_US.UTF-8 Qt version: PyQt6 6.3.1, Qt 6.3.1 Qt runtime version: 6.3.2 Qt platform: xcb XDG_SESSION_TYPE=wayland DESKTOP_SESSION=ubuntu XDG_SESSION_DESKTOP=ubuntu XDG_CURRENT_DESKTOP=ubuntu:GNOME WAYLAND_DISPLAY=wayland-0 GNOME_SETUP_DISPLAY=:1 DISPLAY=:0 Manufacturer: Dell Inc. Model: Inspiron 5406 2n1 OS: Ubuntu 22.04 Jammy Jellyfish Architecture: 64bit ELF Virtual Machine: none CPU: 8 11th Gen Intel(R) Core(TM) i7-1165G7 @ 2.80GHz Cache Size: 12288 KB Memory: total used free shared buff/cache available Mem: 15Gi 2.8Gi 9.3Gi 780Mi 3.2Gi 11Gi Swap: 232Gi 0B 232Gi Graphics: 0000:00:02.0 VGA compatible controller [0300]: Intel Corporation TigerLake-LP GT2 [Iris Xe Graphics] [8086:9a49] (rev 01) DeviceName: Onboard - Video Subsystem: Dell TigerLake-LP GT2 [Iris Xe Graphics] [1028:0a05] Installed Packages: alabaster: 0.7.16 appdirs: 1.4.4 asttokens: 2.4.1 Babel: 2.14.0 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 blosc2: 2.0.0 build: 0.10.0 certifi: 2023.11.17 cftime: 1.6.3 charset-normalizer: 3.3.2 ChimeraX-AddCharge: 1.5.13 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.4.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.12.2 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.1.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.49.1 ChimeraX-AtomicLibrary: 12.1.5 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.10.5 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.3.2 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-Clipper: 0.22.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.5 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.7.1 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.3 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: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ISOLDE: 1.7.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-Label: 1.1.8 ChimeraX-LinuxSupport: 1.0.1 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.1.6 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.1.4 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: 2.1.2 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.6.1 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12.1 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.14 ChimeraX-ModelPanel: 1.4 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 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.1 ChimeraX-NRRD: 1.1 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.13.1 ChimeraX-PDB: 2.7.3 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.2 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.11 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.2 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.12.4 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.2 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.33.3 ChimeraX-uniprot: 2.3 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.3.2 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: 1.1.3 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.1 contourpy: 1.2.0 cxservices: 1.2.2 cycler: 0.12.1 Cython: 0.29.33 debugpy: 1.8.0 decorator: 5.1.1 distro: 1.7.0 docutils: 0.19 executing: 2.0.1 filelock: 3.9.0 fonttools: 4.47.2 funcparserlib: 2.0.0a0 glfw: 2.6.4 grako: 3.16.5 h5py: 3.10.0 html2text: 2020.1.16 idna: 3.6 ihm: 0.38 imagecodecs: 2023.9.18 imagesize: 1.4.1 ipykernel: 6.23.2 ipython: 8.14.0 ipython-genutils: 0.2.0 ipywidgets: 8.1.1 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.2.0 jupyter-core: 5.7.1 jupyterlab-widgets: 3.0.9 kiwisolver: 1.4.5 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.4 matplotlib: 3.7.2 matplotlib-inline: 0.1.6 msgpack: 1.0.4 nest-asyncio: 1.6.0 netCDF4: 1.6.2 networkx: 3.1 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.8 numpy: 1.25.1 openvr: 1.23.701 packaging: 23.2 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pexpect: 4.9.0 pickleshare: 0.7.5 pillow: 10.2.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 4.1.0 prompt-toolkit: 3.0.43 psutil: 5.9.5 ptyprocess: 0.7.0 pure-eval: 0.2.2 py-cpuinfo: 9.0.0 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.16.1 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.2801 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.3.1 PyQt6-Qt6: 6.3.2 PyQt6-sip: 13.4.0 PyQt6-WebEngine-commercial: 6.3.1 PyQt6-WebEngine-Qt6: 6.3.2 python-dateutil: 2.8.2 pytz: 2023.3.post1 pyzmq: 25.1.2 qtconsole: 5.4.3 QtPy: 2.4.1 RandomWords: 0.4.0 requests: 2.31.0 scipy: 1.11.1 setuptools: 67.4.0 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.5 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.8 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.6 sphinxcontrib-htmlhelp: 2.0.5 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.7 sphinxcontrib-serializinghtml: 1.1.10 stack-data: 0.6.3 superqt: 0.5.0 tables: 3.8.0 tcia-utils: 1.5.1 tifffile: 2023.7.18 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.4 traitlets: 5.9.0 typing-extensions: 4.9.0 tzdata: 2023.4 urllib3: 2.1.0 wcwidth: 0.2.13 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.9
Change History (1)
comment:1 by , 18 months ago
Component: | Unassigned → Third Party |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → ISOLDE: start_sim: Error initializing CUDA |
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