Task 38659056

Name test_1189-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5093_0
Workunit 31602612
Created 24 Oct 2026, 13:14:43 UTC
Sent 24 Oct 2026, 14:31:15 UTC
Report deadline 29 Oct 2026, 14:31:15 UTC
Received 26 Oct 2026, 17:03:48 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 636461
Run time 1 min 2 sec
CPU time 21 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 36,252.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
Peak working set size 625.93 MB
Peak swap size 16.19 GB
Peak disk usage 1.44 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
2026-10-24 16:31:33 (6314): wrapper (8.1.26018): starting
2026-10-24 16:32:05 (6314): wrapper: running bin/python (bin/conda-unpack)
2026-10-24 16:32:05 (6314): wrapper: created child process 6622
2026-10-24 16:32:07 (6314): bin/python exited; CPU time 0.142293
2026-10-24 16:32:07 (6314): wrapper: running bin/tar (xjvf input.tar.bz2)
2026-10-24 16:32:07 (6314): wrapper: created child process 6642
2026-10-24 16:32:11 (6314): bin/tar exited; CPU time 0.876123
2026-10-24 16:32:11 (6314): wrapper: running bin/bash (run.sh)
2026-10-24 16:32:11 (6314): wrapper: created child process 6686
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/var/lib/boinc-client/slots/265/bin
+++ dirname /var/lib/boinc-client/slots/265/bin
++ local full_path_env=/var/lib/boinc-client/slots/265
+++ basename /var/lib/boinc-client/slots/265
++ local env_name=265
++ '[' -n '' ']'
++ export CONDA_PREFIX=/var/lib/boinc-client/slots/265
++ CONDA_PREFIX=/var/lib/boinc-client/slots/265
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(265) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/var/lib/boinc-client/slots/265/etc/conda/activate.d
++ '[' -d /var/lib/boinc-client/slots/265/etc/conda/activate.d ']'
+ export PATH=/var/lib/boinc-client/slots/265:/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/var/lib/boinc-client/slots/265:/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ echo 'Create a temporary directory'
+ export TMP=/var/lib/boinc-client/slots/265/tmp
+ TMP=/var/lib/boinc-client/slots/265/tmp
+ mkdir -p /var/lib/boinc-client/slots/265/tmp
+ echo 'Configure AToM'
+ echo localhost,0:0,1,CUDA,,/var/lib/boinc-client/slots/265/tmp
+ FILE=starting_sample
+ '[' -f starting_sample ']'
+ echo 'starting_sample does not exist.'
+ echo 'Install ATM and deps'
+ python -m pip list
+ python -m pip install pyaml==26.2.1 -v
+ python -m pip install --no-dependencies atom-openmm==8.4.0 -v
  Running command pip subprocess to install build dependencies
  Using pip 24.3.1 from /var/lib/boinc-client/slots/265/lib/python3.11/site-packages/pip (python 3.11)
  Collecting setuptools
    Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/ef/55/6dc6d6bb953bdfc52519a0059592c52b6e3b8ad51cf8256dffceb55b0610/setuptools-84.2.1-py3-none-any.whl.metadata
    Downloading setuptools-84.2.1-py3-none-any.whl.metadata (6.6 kB)
  Collecting setuptools-scm>=8
    Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/da/f5/54538a1f17ea753c42b0928dc2e62986d463f8c393340b9a1e602f2d4dd9/setuptools_scm-10.3.4-py3-none-any.whl.metadata
    Downloading setuptools_scm-10.3.4-py3-none-any.whl.metadata (6.7 kB)
  Collecting vcs-versioning<3,>=2.5.0.dev0 (from setuptools-scm>=8)
    Obtaining dependency information for vcs-versioning<3,>=2.5.0.dev0 from https://files.pythonhosted.org/packages/73/1d/ad4064bf12f4503bf61e65d74c93c523672776d25ee0a06aaf42ae09ef3f/vcs_versioning-2.6.0-py3-none-any.whl.metadata
    Downloading vcs_versioning-2.6.0-py3-none-any.whl.metadata (1.7 kB)
  Collecting packaging>=20 (from setuptools-scm>=8)
    Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/63/34/ba1c580383c9eada3711951fef0795c80b829a078d72188184bcab9dd527/packaging-26.3-py3-none-any.whl.metadata
    Downloading packaging-26.3-py3-none-any.whl.metadata (3.5 kB)
  Downloading setuptools-84.2.1-py3-none-any.whl (876 kB)
     &#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129;&#226;&#148;&#129; 876.3/876.3 kB 16.9 MB/s eta 0:00:00
  Downloading setuptools_scm-10.3.4-py3-none-any.whl (33 kB)
  Downloading packaging-26.3-py3-none-any.whl (129 kB)
  Downloading vcs_versioning-2.6.0-py3-none-any.whl (123 kB)
  Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm
    Creating /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/bin
    changing mode of /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/bin/vcs-versioning to 755
    changing mode of /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/bin/setuptools-scm to 755
  Successfully installed packaging-26.3 setuptools-84.2.1 setuptools-scm-10.3.4 vcs-versioning-2.6.0
  Running command Getting requirements to build wheel
  /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/lib/python3.11/site-packages/setuptools_scm/_integration/version_inference.py:236: UserWarning: version of None already set
    warnings.warn(f"version of {self.dist_name} already set")
  running egg_info
  writing atom_openmm.egg-info/PKG-INFO
  writing dependency_links to atom_openmm.egg-info/dependency_links.txt
  writing entry points to atom_openmm.egg-info/entry_points.txt
  writing requirements to atom_openmm.egg-info/requires.txt
  writing top-level names to atom_openmm.egg-info/top_level.txt
  reading manifest file 'atom_openmm.egg-info/SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'atom_openmm.egg-info/SOURCES.txt'
  Running command Preparing metadata (pyproject.toml)
  /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/lib/python3.11/site-packages/setuptools_scm/_integration/version_inference.py:236: UserWarning: version of None already set
    warnings.warn(f"version of {self.dist_name} already set")
  running dist_info
  creating /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info
  writing /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/PKG-INFO
  writing dependency_links to /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/dependency_links.txt
  writing entry points to /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/entry_points.txt
  writing requirements to /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/requires.txt
  writing top-level names to /var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/top_level.txt
  writing manifest file '/var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/SOURCES.txt'
  reading manifest file '/var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file '/var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm.egg-info/SOURCES.txt'
  creating '/var/lib/boinc-client/slots/265/tmp/pip-modern-metadata-tk5h2iju/atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  /var/lib/boinc-client/slots/265/tmp/pip-build-env-2cb61xki/overlay/lib/python3.11/site-packages/setuptools_scm/_integration/version_inference.py:236: UserWarning: version of None already set
    warnings.warn(f"version of {self.dist_name} already set")
  running bdist_wheel
  running build
  running build_py
  creating build/lib/atom_openmm
  copying atom_openmm/local_openmm_transport.py -> build/lib/atom_openmm
  copying atom_openmm/gibbs_sampling.py -> build/lib/atom_openmm
  copying atom_openmm/__init__.py -> build/lib/atom_openmm
  copying atom_openmm/make_atm_system_from_pdb.py -> build/lib/atom_openmm
  copying atom_openmm/ommworker.py -> build/lib/atom_openmm
  copying atom_openmm/make_atm_system_from_rcpt_lig.py -> build/lib/atom_openmm
  copying atom_openmm/abfe_explicit.py -> build/lib/atom_openmm
  copying atom_openmm/transport.py -> build/lib/atom_openmm
  copying atom_openmm/async_re.py -> build/lib/atom_openmm
  copying atom_openmm/make_atm_system_from_amber.py -> build/lib/atom_openmm
  copying atom_openmm/openmm_async_re.py -> build/lib/atom_openmm
  copying atom_openmm/uwham.py -> build/lib/atom_openmm
  copying atom_openmm/temperatureRE_explicit.py -> build/lib/atom_openmm
  copying atom_openmm/abfe_structprep.py -> build/lib/atom_openmm
  copying atom_openmm/rbfe_explicit.py -> build/lib/atom_openmm
  copying atom_openmm/rbfe_production.py -> build/lib/atom_openmm
  copying atom_openmm/ommreplica.py -> build/lib/atom_openmm
  copying atom_openmm/ommsystem.py -> build/lib/atom_openmm
  copying atom_openmm/abfe_production.py -> build/lib/atom_openmm
  copying atom_openmm/rbfe_structprep.py -> build/lib/atom_openmm
  creating build/lib/atom_openmm/utils
  copying atom_openmm/utils/__init__.py -> build/lib/atom_openmm/utils
  copying atom_openmm/utils/AtomUtils.py -> build/lib/atom_openmm/utils
  copying atom_openmm/utils/config.py -> build/lib/atom_openmm/utils
  copying atom_openmm/utils/singal_guard.py -> build/lib/atom_openmm/utils
  copying atom_openmm/utils/timer.py -> build/lib/atom_openmm/utils
  running egg_info
  writing atom_openmm.egg-info/PKG-INFO
  writing dependency_links to atom_openmm.egg-info/dependency_links.txt
  writing entry points to atom_openmm.egg-info/entry_points.txt
  writing requirements to atom_openmm.egg-info/requires.txt
  writing top-level names to atom_openmm.egg-info/top_level.txt
  reading manifest file 'atom_openmm.egg-info/SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'atom_openmm.egg-info/SOURCES.txt'
  copying atom_openmm/utils/logging.conf -> build/lib/atom_openmm/utils
  installing to build/bdist.linux-x86_64/wheel
  running install
  running install_lib
  creating build/bdist.linux-x86_64/wheel
  creating build/bdist.linux-x86_64/wheel/atom_openmm
  copying build/lib/atom_openmm/local_openmm_transport.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/gibbs_sampling.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/__init__.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/make_atm_system_from_pdb.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  creating build/bdist.linux-x86_64/wheel/atom_openmm/utils
  copying build/lib/atom_openmm/utils/__init__.py -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/utils/AtomUtils.py -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/utils/logging.conf -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/utils/config.py -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/utils/singal_guard.py -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/utils/timer.py -> build/bdist.linux-x86_64/wheel/./atom_openmm/utils
  copying build/lib/atom_openmm/ommworker.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/make_atm_system_from_rcpt_lig.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/abfe_explicit.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/transport.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/async_re.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/make_atm_system_from_amber.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/openmm_async_re.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/uwham.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/temperatureRE_explicit.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/abfe_structprep.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/rbfe_explicit.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/rbfe_production.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/ommreplica.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/ommsystem.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/abfe_production.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  copying build/lib/atom_openmm/rbfe_structprep.py -> build/bdist.linux-x86_64/wheel/./atom_openmm
  running install_egg_info
  Copying atom_openmm.egg-info to build/bdist.linux-x86_64/wheel/./atom_openmm-8.4.0-py3.11.egg-info
  running install_scripts
  creating build/bdist.linux-x86_64/wheel/atom_openmm-8.4.0.dist-info/WHEEL
  creating '/var/lib/boinc-client/slots/265/tmp/pip-wheel-mhlyzzu1/.tmp-pnjvmjup/atom_openmm-8.4.0-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it
  adding 'atom_openmm/__init__.py'
  adding 'atom_openmm/abfe_explicit.py'
  adding 'atom_openmm/abfe_production.py'
  adding 'atom_openmm/abfe_structprep.py'
  adding 'atom_openmm/async_re.py'
  adding 'atom_openmm/gibbs_sampling.py'
  adding 'atom_openmm/local_openmm_transport.py'
  adding 'atom_openmm/make_atm_system_from_amber.py'
  adding 'atom_openmm/make_atm_system_from_pdb.py'
  adding 'atom_openmm/make_atm_system_from_rcpt_lig.py'
  adding 'atom_openmm/ommreplica.py'
  adding 'atom_openmm/ommsystem.py'
  adding 'atom_openmm/ommworker.py'
  adding 'atom_openmm/openmm_async_re.py'
  adding 'atom_openmm/rbfe_explicit.py'
  adding 'atom_openmm/rbfe_production.py'
  adding 'atom_openmm/rbfe_structprep.py'
  adding 'atom_openmm/temperatureRE_explicit.py'
  adding 'atom_openmm/transport.py'
  adding 'atom_openmm/uwham.py'
  adding 'atom_openmm/utils/AtomUtils.py'
  adding 'atom_openmm/utils/__init__.py'
  adding 'atom_openmm/utils/config.py'
  adding 'atom_openmm/utils/logging.conf'
  adding 'atom_openmm/utils/singal_guard.py'
  adding 'atom_openmm/utils/timer.py'
  adding 'atom_openmm-8.4.0.dist-info/licenses/LICENSE'
  adding 'atom_openmm-8.4.0.dist-info/METADATA'
  adding 'atom_openmm-8.4.0.dist-info/WHEEL'
  adding 'atom_openmm-8.4.0.dist-info/entry_points.txt'
  adding 'atom_openmm-8.4.0.dist-info/top_level.txt'
  adding 'atom_openmm-8.4.0.dist-info/RECORD'
  removing build/bdist.linux-x86_64/wheel
+ python -m pip list
+ echo 'Extract restart'
+ tar xjvf restart.tar.bz2
+ echo 'Run AToM'
+ CONFIG_FILE=QB_A34_A12_input.yaml
+ python bin/rbfe_production QB_A34_A12_input.yaml
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
2026-10-26 17:46:10 (5576): wrapper (8.1.26018): starting
2026-10-26 17:46:10 (5576): wrapper: running bin/bash (run.sh)
2026-10-26 17:46:10 (5576): wrapper: created child process 5578
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/var/lib/boinc-client/slots/265/bin
+++ dirname /var/lib/boinc-client/slots/265/bin
++ local full_path_env=/var/lib/boinc-client/slots/265
+++ basename /var/lib/boinc-client/slots/265
++ local env_name=265
++ '[' -n '' ']'
++ export CONDA_PREFIX=/var/lib/boinc-client/slots/265
++ CONDA_PREFIX=/var/lib/boinc-client/slots/265
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(265) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/var/lib/boinc-client/slots/265/etc/conda/activate.d
++ '[' -d /var/lib/boinc-client/slots/265/etc/conda/activate.d ']'
+ export PATH=/var/lib/boinc-client/slots/265:/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/var/lib/boinc-client/slots/265:/var/lib/boinc-client/slots/265/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ echo 'Create a temporary directory'
+ export TMP=/var/lib/boinc-client/slots/265/tmp
+ TMP=/var/lib/boinc-client/slots/265/tmp
+ mkdir -p /var/lib/boinc-client/slots/265/tmp
+ echo 'Configure AToM'
+ echo localhost,0:0,1,CUDA,,/var/lib/boinc-client/slots/265/tmp
+ FILE=starting_sample
+ '[' -f starting_sample ']'
+ echo 'starting_sample does not exist.'
+ echo 'Install ATM and deps'
+ python -m pip list
+ python -m pip install pyaml==26.2.1 -v
+ python -m pip install --no-dependencies atom-openmm==8.4.0 -v
+ python -m pip list
+ echo 'Extract restart'
+ tar xjvf restart.tar.bz2
+ echo 'Run AToM'
+ CONFIG_FILE=QB_A34_A12_input.yaml
+ python bin/rbfe_production QB_A34_A12_input.yaml
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "/var/lib/boinc-client/slots/265/bin/rbfe_production", line 8, in <module>
    sys.exit(rbfe_production())
             ^^^^^^^^^^^^^^^^^
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/atom_openmm/ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/var/lib/boinc-client/slots/265/lib/python3.11/site-packages/openmm/openmm.py", line 15506, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_LAUNCH_FAILED (719)
terminate called after throwing an instance of 'OpenMM::OpenMMException'
  what():  Error deleting array bondParams: CUDA_ERROR_LAUNCH_FAILED (719)
run.sh: line 34:  5622 Aborted                 (core dumped) python bin/rbfe_production $CONFIG_FILE
2026-10-26 17:46:33 (5576): bin/bash exited; CPU time 23.171991
2026-10-26 17:46:33 (5576): app exit status: 0x86
2026-10-26 17:46:33 (5576): called boinc_finish(195)

</stderr_txt>
]]>


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