Task 38698150
| Name | test_11-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4195_0 |
| Workunit | 31638682 |
| Created | 2 Nov 2026, 4:31:09 UTC |
| Sent | 2 Nov 2026, 4:31:13 UTC |
| Report deadline | 7 Nov 2026, 4:31:13 UTC |
| Received | 2 Nov 2026, 10:59:01 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 156955 |
| Run time | 9 min 1 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,242.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 11.17 MB |
| Peak swap size | 6.24 MB |
| Peak disk usage | 4.44 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
%1 nelze spustit.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:50:18 (20032): wrapper (7.9.26016): starting
05:50:18 (20032): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:50:19 (20032): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:50:19 (20032): 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 'D:\Boinc_data\slots\6\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: 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 'D:\Boinc_data\slots\6\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.
11:54:25 (5184): wrapper (7.9.26016): starting
11:54:25 (5184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
11:54:28 (5184): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:54:28 (5184): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\Boinc_data\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "D:\Boinc_data\slots\6\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\Boinc_data\slots\6\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\Boinc_data\slots\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "D:\Boinc_data\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
11:54:51 (5184): C:/Windows/system32/cmd.exe exited; CPU time 9.203125
11:54:51 (5184): app exit status: 0x16
11:54:51 (5184): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 627883 bytes.
Dumping objects ->
{3849990} normal block at 0x0000013AA7AB6980, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3849979} normal block at 0x0000013AA96E4A70, 32 bytes long.
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{3849968} normal block at 0x0000013AA96E5D90, 32 bytes long.
Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74
{3849957} normal block at 0x0000013AA96E5B50, 32 bytes long.
Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3849946} normal block at 0x0000013AA96E5430, 32 bytes long.
Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F
{3849915} normal block at 0x0000013AA7AB7010, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3849904} normal block at 0x0000013AA96ADA10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3849901} normal block at 0x0000013AA7A87520, 8 bytes long.
Data: < §: > 00 00 9D A7 3A 01 00 00
{3849253} normal block at 0x0000013AA96AE250, 102 bytes long.
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{3848640} normal block at 0x0000013AA7A86EE0, 8 bytes long.
Data: <p„«§: > 70 84 AB A7 3A 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000013AA7A91A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013AA7A76290, 80 bytes long.
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{293} normal block at 0x0000013AA7A92E30, 16 bytes long.
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{292} normal block at 0x0000013AA7A8BCA0, 32 bytes long.
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{291} normal block at 0x0000013AA7A932E0, 16 bytes long.
Data: <Ø@©§: > D8 40 A9 A7 3A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013AA7A92D40, 16 bytes long.
Data: <°@©§: > B0 40 A9 A7 3A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013AA7A92CA0, 16 bytes long.
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{288} normal block at 0x0000013AA7A92B10, 16 bytes long.
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{287} normal block at 0x0000013AA7A8DF50, 48 bytes long.
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{286} normal block at 0x0000013AA7A92AC0, 16 bytes long.
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{285} normal block at 0x0000013AA7A8C5A0, 32 bytes long.
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{284} normal block at 0x0000013AA7A936A0, 16 bytes long.
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{282} normal block at 0x0000013AA7A92A70, 16 bytes long.
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{281} normal block at 0x0000013AA7A92CF0, 16 bytes long.
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{280} normal block at 0x0000013AA7A929D0, 16 bytes long.
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{279} normal block at 0x0000013AA7A92DE0, 16 bytes long.
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{278} normal block at 0x0000013AA7A92C00, 16 bytes long.
Data: <8a§§: > 38 61 A7 A7 3A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013AA7A8BD60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000013AA7A93010, 16 bytes long.
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{275} normal block at 0x0000013AA7A76110, 320 bytes long.
Data: < 0©§: ` ¨§: > 10 30 A9 A7 3A 01 00 00 60 BD A8 A7 3A 01 00 00
{274} normal block at 0x0000013AA7A92980, 16 bytes long.
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{258} normal block at 0x0000013AA7A8BFA0, 32 bytes long.
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{92} normal block at 0x0000013AA7A8C060, 32 bytes long.
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{91} normal block at 0x0000013AA7A86D50, 16 bytes long.
Data: <Àߨ§: > C0 DF A8 A7 3A 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000013AA7A8DFC0, 40 bytes long.
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{69} normal block at 0x0000013AA7A874D0, 16 bytes long.
Data: < ê :ö > 80 EA 99 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013AA7A876B0, 16 bytes long.
Data: <@é :ö > 40 E9 99 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000013AA7A87B60, 16 bytes long.
Data: <øW–:ö > F8 57 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000013AA7A872F0, 16 bytes long.
Data: <ØW–:ö > D8 57 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000013AA7A86CB0, 16 bytes long.
Data: <P –:ö > 50 04 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000013AA7A87660, 16 bytes long.
Data: <0 –:ö > 30 04 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000013AA7A87AC0, 16 bytes long.
Data: <à –:ö > E0 02 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000013AA7A87A20, 16 bytes long.
Data: < –:ö > 10 04 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000013AA7A87020, 16 bytes long.
Data: <p –:ö > 70 04 96 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000013AA7A87610, 16 bytes long.
Data: < À”:ö > 18 C0 94 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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