Task 38662289
| Name | test_881-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5065_0 |
| Workunit | 31605556 |
| Created | 24 Oct 2026, 18:35:31 UTC |
| Sent | 24 Oct 2026, 18:35:39 UTC |
| Report deadline | 29 Oct 2026, 18:35:39 UTC |
| Received | 24 Oct 2026, 21:24:24 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654720 |
| Run time | 25 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu |
| Peak working set size | 45.40 MB |
| Peak swap size | 122.94 MB |
| Peak disk usage | 1.46 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<message>
process exited with code 195 (0xc3, -61)</message>
<stderr_txt>
ERROR: ld.so: object '/snap/boinc/605/gnome-platform/$LIB/bindtextdomain.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored.
2026-10-24 13:32:09 (513592): wrapper (8.1.26018): starting
2026-10-24 13:32:25 (513592): wrapper: running bin/python (bin/conda-unpack)
2026-10-24 13:32:25 (513592): wrapper: created child process 513610
ERROR: ld.so: object '/snap/boinc/605/gnome-platform/$LIB/bindtextdomain.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored.
2026-10-24 13:32:26 (513592): bin/python exited; CPU time 0.114227
2026-10-24 13:32:26 (513592): wrapper: running bin/tar (xjvf input.tar.bz2)
2026-10-24 13:32:26 (513592): wrapper: created child process 513611
2026-10-24 13:32:27 (513592): bin/tar exited; CPU time 0.584983
2026-10-24 13:32:27 (513592): wrapper: running bin/bash (run.sh)
2026-10-24 13:32:27 (513592): wrapper: created child process 513613
+ echo 'Setup environment'
+ source bin/activate
++ _conda_pack_activate
++ local _CONDA_SHELL_FLAVOR
++ '[' -n x ']'
++ _CONDA_SHELL_FLAVOR=bash
++ local script_dir
++ case "$_CONDA_SHELL_FLAVOR" in
+++ dirname bin/activate
++ script_dir=bin
+++ cd bin
+++ pwd
++ local full_path_script_dir=/home/dylans/snap/boinc/605/slots/15/bin
+++ dirname /home/dylans/snap/boinc/605/slots/15/bin
++ local full_path_env=/home/dylans/snap/boinc/605/slots/15
+++ basename /home/dylans/snap/boinc/605/slots/15
++ local env_name=15
++ '[' -n '' ']'
++ export CONDA_PREFIX=/home/dylans/snap/boinc/605/slots/15
++ CONDA_PREFIX=/home/dylans/snap/boinc/605/slots/15
++ export _CONDA_PACK_OLD_PS1=
++ _CONDA_PACK_OLD_PS1=
++ PATH=/home/dylans/snap/boinc/605/slots/15/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
++ PS1='(15) '
++ case "$_CONDA_SHELL_FLAVOR" in
++ hash -r
++ local _script_dir=/home/dylans/snap/boinc/605/slots/15/etc/conda/activate.d
++ '[' -d /home/dylans/snap/boinc/605/slots/15/etc/conda/activate.d ']'
+ export PATH=/home/dylans/snap/boinc/605/slots/15:/home/dylans/snap/boinc/605/slots/15/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ PATH=/home/dylans/snap/boinc/605/slots/15:/home/dylans/snap/boinc/605/slots/15/bin:/usr/local/bin:/usr/local/sbin:/usr/bin:/usr/sbin:/bin:/sbin:.
+ echo 'Create a temporary directory'
+ export TMP=/home/dylans/snap/boinc/605/slots/15/tmp
+ TMP=/home/dylans/snap/boinc/605/slots/15/tmp
+ mkdir -p /home/dylans/snap/boinc/605/slots/15/tmp
+ echo 'Configure AToM'
+ echo localhost,0:0,1,CUDA,,/home/dylans/snap/boinc/605/slots/15/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
WARNING: There was an error checking the latest version of pip.
+ 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 /home/dylans/snap/boinc/605/slots/15/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)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 876.3/876.3 kB 40.4 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 /home/dylans/snap/boinc/605/slots/15/tmp/pip-build-env-mz4kjexx/overlay/bin
changing mode of /home/dylans/snap/boinc/605/slots/15/tmp/pip-build-env-mz4kjexx/overlay/bin/vcs-versioning to 775
changing mode of /home/dylans/snap/boinc/605/slots/15/tmp/pip-build-env-mz4kjexx/overlay/bin/setuptools-scm to 775
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
/home/dylans/snap/boinc/605/slots/15/tmp/pip-build-env-mz4kjexx/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)
/home/dylans/snap/boinc/605/slots/15/tmp/pip-build-env-mz4kjexx/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 /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info
writing /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/PKG-INFO
writing dependency_links to /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/dependency_links.txt
writing entry points to /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/entry_points.txt
writing requirements to /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/requires.txt
writing top-level names to /home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/top_level.txt
writing manifest file '/home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/SOURCES.txt'
reading manifest file '/home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file '/home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm.egg-info/SOURCES.txt'
creating '/home/dylans/snap/boinc/605/slots/15/tmp/pip-modern-metadata-v8dp4u7j/atom_openmm-8.4.0.dist-info'
WARNING: Building wheel for atom-openmm failed: [Errno 13] Permission denied: '/home/dylans/.cache/pip/wheels/58'
WARNING: There was an error checking the latest version of pip.
ERROR: ERROR: Failed to build installable wheels for some pyproject.toml based projects (atom-openmm)
2026-10-24 13:32:32 (513592): bin/bash exited; CPU time 2.818814
2026-10-24 13:32:32 (513592): app exit status: 0x1
2026-10-24 13:32:32 (513592): called boinc_finish(195)
</stderr_txt>
]]>
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