| Name | JNK1_A20_A16_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND9629_0 |
| Workunit | 31545317 |
| Created | 11 Dec 2025, 16:08:14 UTC |
| Sent | 11 Dec 2025, 16:08:21 UTC |
| Report deadline | 16 Dec 2025, 16:08:21 UTC |
| Received | 17 Dec 2025, 19:13:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642724 |
| Run time | 2 hours 39 min 58 sec |
| CPU time | 2 hours 33 min 27 sec |
| Validate state | Task was reported too late to validate |
| Credit | 0.00 |
| Device peak FLOPS | 40,329.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.98 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 4.24 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
21:48:46 (36264): wrapper (7.9.26016): starting
21:48:46 (36264): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A16_0.pdb
QB_A20_A16_0.xml
QB_A20_A16_equil.pdb
QB_A20_A16.inpcrd
QB_A20_A16_input.yaml
QB_A20_A16_mdlambda.pdb
QB_A20_A16_min.pdb
QB_A20_A16_npt.pdb
QB_A20_A16.pdb
QB_A20_A16.prmtop
QB_A20_A16_sys.xml
QB_A20_A16_therm.pdb
run.bat
run.sh
21:48:49 (36264): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:48:49 (36264): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Running command pip subprocess to install build dependencies
Using pip 24.3.1 from C:\ProgramData\BOINC\slots\1\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Downloading setuptools-80.9.0-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/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
---------------------------------------- 1.2/1.2 MB 2.7 MB/s eta 0:00:00
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Downloading packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\1\pip-build-env-f3pm5cxp\overlay\Scripts
Successfully installed packaging-25.0 setuptools-80.9.0 setuptools-scm-9.2.2
Running command Getting requirements to build wheel
C:\ProgramData\BOINC\slots\1\pip-build-env-f3pm5cxp\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
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
listing git files failed - pretending there aren't any
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)
C:\ProgramData\BOINC\slots\1\pip-build-env-f3pm5cxp\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
running dist_info
creating C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-fy__69oe\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-f3pm5cxp\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
running bdist_wheel
running build
running build_py
creating build\lib\atom_openmm
copying atom_openmm\abfe_explicit.py -> build\lib\atom_openmm
copying atom_openmm\abfe_production.py -> build\lib\atom_openmm
copying atom_openmm\abfe_structprep.py -> build\lib\atom_openmm
copying atom_openmm\async_re.py -> build\lib\atom_openmm
copying atom_openmm\gibbs_sampling.py -> build\lib\atom_openmm
copying atom_openmm\local_openmm_transport.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_amber.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_pdb.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_rcpt_lig.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\ommworker.py -> build\lib\atom_openmm
copying atom_openmm\openmm_async_re.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\rbfe_structprep.py -> build\lib\atom_openmm
copying atom_openmm\temperatureRE_explicit.py -> build\lib\atom_openmm
copying atom_openmm\transport.py -> build\lib\atom_openmm
copying atom_openmm\uwham.py -> build\lib\atom_openmm
copying atom_openmm\__init__.py -> build\lib\atom_openmm
creating 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
copying atom_openmm\utils\__init__.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
listing git files failed - pretending there aren't any
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.win-amd64\wheel
running install
running install_lib
creating build\bdist.win-amd64\wheel
creating build\bdist.win-amd64\wheel\atom_openmm
copying build\lib\atom_openmm\abfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\abfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\abfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\gibbs_sampling.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\local_openmm_transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_amber.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_pdb.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_rcpt_lig.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommreplica.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommsystem.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommworker.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\openmm_async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\temperatureRE_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
creating build\bdist.win-amd64\wheel\atom_openmm\utils
copying build\lib\atom_openmm\utils\AtomUtils.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\config.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\logging.conf -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\singal_guard.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\timer.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\uwham.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm
running install_egg_info
Copying atom_openmm.egg-info to build\bdist.win-amd64\wheel\.\atom_openmm-8.4.0-py3.11.egg-info
running install_scripts
creating build\bdist.win-amd64\wheel\atom_openmm-8.4.0.dist-info\WHEEL
creating 'C:\ProgramData\BOINC\slots\1\pip-wheel-axudcne5\.tmp-0iawglt6\atom_openmm-8.4.0-py3-none-any.whl' and adding 'build\bdist.win-amd64\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.win-amd64\wheel
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835453} normal block at 0x00000237B95FE760, 8 bytes long.
Data: < Y 7 > 00 00 59 B9 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x00000237B96DDFD0, 1080 bytes long.
Data: <H > 48 86 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000237B95F5430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:54:03 (36684): wrapper (7.9.26016): starting
22:54:03 (36684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000248189A5D10, 8 bytes long.
Data: < H > 00 00 E2 18 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000248189A6880, 1080 bytes long.
Data: <<~ > 3C 7E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
23:17:19 (36748): wrapper (7.9.26016): starting
23:17:19 (36748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000020E957C7020, 8 bytes long.
Data: < > 00 00 BB 95 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000020E957C7D20, 1080 bytes long.
Data: < > EC 87 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
23:43:38 (19388): wrapper (7.9.26016): starting
23:43:38 (19388): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000001C2F2F66920, 8 bytes long.
Data: < > 00 00 EE F2 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C2F2F66EA0, 1080 bytes long.
Data: < > B8 8A 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
00:53:29 (36088): wrapper (7.9.26016): starting
00:53:29 (36088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000001AF115B5AC0, 8 bytes long.
Data: < X > 00 00 58 11 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001AF115B6EA0, 1080 bytes long.
Data: <$ > 24 8C 00 00 CD CD CD CD 9C 01 00 00 00 00 00 00
Object dump complete.
01:30:43 (30048): wrapper (7.9.26016): starting
01:30:43 (30048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000279C7F35D40, 8 bytes long.
Data: < y > 00 00 EE C7 79 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000279C7F36EA0, 1080 bytes long.
Data: < | > C0 7C 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
03:47:09 (29924): wrapper (7.9.26016): starting
03:47:09 (29924): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000016B7A987B10, 8 bytes long.
Data: < zk > 00 00 CA 7A 6B 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000016B7A988A90, 1080 bytes long.
Data: < > BC 92 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
04:58:54 (38636): wrapper (7.9.26016): starting
04:58:54 (38636): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000002433C8A5B10, 8 bytes long.
Data: < <C > 00 00 C4 3C 43 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002433C8A64A0, 1080 bytes long.
Data: <P > 50 94 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
07:16:13 (36412): wrapper (7.9.26016): starting
07:16:13 (36412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000223273A6A10, 8 bytes long.
Data: < '# > 00 00 8F 27 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000223273A6EA0, 1080 bytes long.
Data: < > C4 86 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
00:15:08 (2372): wrapper (7.9.26016): starting
00:15:08 (2372): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000002ADAE955DF0, 8 bytes long.
Data: < > 00 00 DF AE AD 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002ADAE956EB0, 1080 bytes long.
Data: << > 3C 8E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
00:31:30 (39288): wrapper (7.9.26016): starting
00:31:30 (39288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000020A41DE6290, 8 bytes long.
Data: < A > 00 00 DB 41 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000020A41DE6EA0, 1080 bytes long.
Data: < q > C8 71 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
Object dump complete.
01:26:42 (35612): wrapper (7.9.26016): starting
01:26:42 (35612): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000028CB3EE5BC0, 8 bytes long.
Data: < > 00 00 EB B3 8C 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000028CB3EE6EB0, 1080 bytes long.
Data: < ? > 98 3F 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
01:55:05 (35376): wrapper (7.9.26016): starting
01:55:05 (35376): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000021249116470, 8 bytes long.
Data: < J > 00 00 B4 4A 12 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000021249116EA0, 1080 bytes long.
Data: <8 > 38 8B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:12:28 (39792): wrapper (7.9.26016): starting
03:12:28 (39792): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000027B6F157690, 8 bytes long.
Data: < Qo{ > 00 00 51 6F 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000027B6F157D00, 1080 bytes long.
Data: < > B8 83 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
04:16:03 (10328): wrapper (7.9.26016): starting
04:16:03 (10328): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000021A614F83B0, 8 bytes long.
Data: < a > 00 00 A7 61 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000021A614F8B10, 1080 bytes long.
Data: <0 > 30 1C 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
21:27:49 (37964): wrapper (7.9.26016): starting
21:27:49 (37964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000015C192267C0, 8 bytes long.
Data: < \ > 00 00 1D 19 5C 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000015C19226ED0, 1080 bytes long.
Data: < ' > B8 27 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
23:30:35 (11176): wrapper (7.9.26016): starting
23:30:35 (11176): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000028FECF45DF0, 8 bytes long.
Data: < > 00 00 9E EE 8F 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000028FECF46EB0, 1080 bytes long.
Data: < > B0 90 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
23:46:30 (21008): wrapper (7.9.26016): starting
23:46:30 (21008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000002652E4266F0, 8 bytes long.
Data: < .e > 00 00 8C 2E 65 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002652E4279E0, 1080 bytes long.
Data: < % > C0 25 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
00:43:22 (36456): wrapper (7.9.26016): starting
00:43:22 (36456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000278AD106060, 8 bytes long.
Data: < x > 00 00 0D AD 78 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000278AD106EA0, 1080 bytes long.
Data: < > 08 95 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
08:00:39 (38248): wrapper (7.9.26016): starting
08:00:39 (38248): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000001A0BCD55C80, 8 bytes long.
Data: < s > 00 00 73 BE A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A0BCD56ED0, 1080 bytes long.
Data: < > 84 8D 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
10:35:01 (33084): wrapper (7.9.26016): starting
10:35:01 (33084): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000250C1346060, 8 bytes long.
Data: < ~ P > 00 00 7E C1 50 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000250C1346EA0, 1080 bytes long.
Data: <4 > 34 85 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
11:29:09 (31712): wrapper (7.9.26016): starting
11:29:09 (31712): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000002001E6B6A30, 8 bytes long.
Data: < > 00 00 FE 1F 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002001E6B7D20, 1080 bytes long.
Data: < q > E0 71 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
12:01:08 (40784): wrapper (7.9.26016): starting
12:01:08 (40784): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000019DD25C6DA0, 8 bytes long.
Data: < > 00 00 A1 D2 9D 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000019DD25C7D20, 1080 bytes long.
Data: <d > 64 84 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
15:14:28 (36336): wrapper (7.9.26016): starting
15:14:28 (36336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x000001864BEC6DD0, 8 bytes long.
Data: < K > 00 00 E9 4B 86 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001864BEC7960, 1080 bytes long.
Data: <l \ > 6C 9E 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
15:39:36 (19440): wrapper (7.9.26016): starting
15:39:36 (19440): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000029124986B70, 8 bytes long.
Data: < $ > 00 00 90 24 91 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000029124987D20, 1080 bytes long.
Data: < > AC 97 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
23:00:38 (33256): wrapper (7.9.26016): starting
23:00:38 (33256): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1794} normal block at 0x00000235DE875CB0, 8 bytes long.
Data: < 5 > 00 00 D9 DE 35 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000235DE876EB0, 1080 bytes long.
Data: < > C8 8B 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
02:10:18 (41724): wrapper (7.9.26016): starting
02:10:18 (41724): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
03:07:23 (41724): C:/Windows/system32/cmd.exe exited; CPU time 3176.125000
03:07:23 (41724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 66320474 bytes.
Dumping objects ->
{1882} normal block at 0x0000026392A74EB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1871} normal block at 0x0000026392A74F20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1860} normal block at 0x0000026392A74F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1849} normal block at 0x0000026392A75230, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1838} normal block at 0x0000026392A75380, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1807} normal block at 0x0000026392A61B40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1794} normal block at 0x0000026392A75D40, 8 bytes long.
Data: < c > 00 00 FC 92 63 02 00 00
{310} normal block at 0x0000026392A76470, 8 bytes long.
Data: < n c > A0 6E A7 92 63 02 00 00
{301} normal block at 0x0000026392A61E50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000026392A75C00, 16 bytes long.
Data: < m c > A8 6D A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000026392A76420, 16 bytes long.
Data: < m c > 80 6D A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026392A70700, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000026392A75BB0, 16 bytes long.
Data: <Xm c > 58 6D A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026392A768D0, 16 bytes long.
Data: <0m c > 30 6D A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026392A75CA0, 16 bytes long.
Data: < m c > 08 6D A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026392A75E80, 16 bytes long.
Data: < l c > E0 6C A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026392A75070, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000026392A76830, 16 bytes long.
Data: < c > D8 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026392A6F980, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000026392A763D0, 16 bytes long.
Data: < c > B0 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026392A76380, 16 bytes long.
Data: < c > 88 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026392A76290, 16 bytes long.
Data: <` c > 60 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026392A76740, 16 bytes long.
Data: <8 c > 38 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026392A76240, 16 bytes long.
Data: < c > 10 1A A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026392A767E0, 16 bytes long.
Data: < c > E8 19 A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026392A706A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000026392A766F0, 16 bytes long.
Data: < c > C0 19 A6 92 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026392A619C0, 320 bytes long.
Data: < f c c > F0 66 A7 92 63 02 00 00 A0 06 A7 92 63 02 00 00
{280} normal block at 0x0000026392A761A0, 16 bytes long.
Data: < l c > C0 6C A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026392A76100, 16 bytes long.
Data: < l c > 98 6C A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026392A70640, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000026392A75C50, 16 bytes long.
Data: <pl c > 70 6C A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026392A705E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000026392A76880, 16 bytes long.
Data: < k c > B8 6B A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026392A76010, 16 bytes long.
Data: < k c > 90 6B A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026392A760B0, 16 bytes long.
Data: <hk c > 68 6B A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026392A75AC0, 16 bytes long.
Data: <@k c > 40 6B A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026392A766A0, 16 bytes long.
Data: < k c > 18 6B A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026392A75F70, 16 bytes long.
Data: < j c > F0 6A A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026392A75F20, 16 bytes long.
Data: < T c > D0 54 A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026392A754D0, 40 bytes long.
Data: < _ c @ c > 20 5F A7 92 63 02 00 00 40 1B A6 92 63 02 00 00
{266} normal block at 0x0000026392A762E0, 16 bytes long.
Data: < j c > D0 6A A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026392A75CF0, 16 bytes long.
Data: < j c > A8 6A A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026392A6F9E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000026392A75FC0, 16 bytes long.
Data: < j c > 80 6A A7 92 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026392A76A80, 992 bytes long.
Data: < _ c c > C0 5F A7 92 63 02 00 00 E0 F9 A6 92 63 02 00 00
{98} normal block at 0x0000026392A70160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000026392A6DB00, 16 bytes long.
Data: < c > 80 FE A5 92 63 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000026392A5FE80, 40 bytes long.
Data: < c ` c > 00 DB A6 92 63 02 00 00 60 01 A7 92 63 02 00 00
{75} normal block at 0x0000026392A6DC40, 16 bytes long.
Data: < > 80 EA 9C FA F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026392A6DCE0, 16 bytes long.
Data: <@ > 40 E9 9C FA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026392A6DE70, 16 bytes long.
Data: < W > F8 57 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026392A6DD30, 16 bytes long.
Data: < W > D8 57 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026392A6DA60, 16 bytes long.
Data: <P > 50 04 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026392A6DDD0, 16 bytes long.
Data: <0 > 30 04 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026392A6D9C0, 16 bytes long.
Data: < > E0 02 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026392A6D740, 16 bytes long.
Data: < > 10 04 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026392A6D6A0, 16 bytes long.
Data: <p > 70 04 99 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026392A6D790, 16 bytes long.
Data: < > 18 C0 97 FA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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