Task 38660018
| Name | test_1851-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0324_0 |
| Workunit | 31603549 |
| Created | 24 Oct 2026, 13:43:26 UTC |
| Sent | 24 Oct 2026, 17:01:11 UTC |
| Report deadline | 29 Oct 2026, 17:01:11 UTC |
| Received | 26 Oct 2026, 7:30:56 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654071 |
| Run time | 9 min 1 sec |
| CPU time | 7 min 56 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,933.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 628.57 MB |
| Peak swap size | 2.14 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:47:25 (1608): wrapper (7.9.26016): starting
07:47:25 (1608): 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
07:47:27 (1608): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:47:27 (1608): 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\7\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 'C:\ProgramData\BOINC\slots\7\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.
08:13:56 (16904): wrapper (7.9.26016): starting
08:13:56 (16904): 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\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
08:29:35 (18436): wrapper (7.9.26016): starting
08:29:35 (18436): 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\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\7\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 "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
return _openmm.XmlSerializer__deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'z' in node '
'
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 "C:\ProgramData\BOINC\slots\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\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'
08:30:20 (18436): C:/Windows/system32/cmd.exe exited; CPU time 34.968750
08:30:20 (18436): app exit status: 0x16
08:30:20 (18436): called boinc_finish(195)
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: 650814 bytes.
Dumping objects ->
{1592} normal block at 0x000002CD30BBCEF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x000002CD30BBD510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000002CD30BBCE10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1559} normal block at 0x000002CD30BBCFD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x000002CD30BBD200, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1517} normal block at 0x000002CD30BA6890, 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) : {1504} normal block at 0x000002CD30BC3440, 8 bytes long.
Data: < W2 > 00 00 57 32 CD 02 00 00
{298} normal block at 0x000002CD30BC2EF0, 8 bytes long.
Data: < < 0 > 90 3C BC 30 CD 02 00 00
{289} normal block at 0x000002CD30BA6180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002CD30BC2900, 16 bytes long.
Data: < ; 0 > 98 3B BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CD30BC3530, 16 bytes long.
Data: <p; 0 > 70 3B BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CD30BBB4A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002CD30BC2D10, 16 bytes long.
Data: <H; 0 > 48 3B BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CD30BC33A0, 16 bytes long.
Data: < ; 0 > 20 3B BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CD30BC2B30, 16 bytes long.
Data: < : 0 > F8 3A BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CD30BC3030, 16 bytes long.
Data: < : 0 > D0 3A BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CD30BBD2E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002CD30BC2950, 16 bytes long.
Data: < a 0 > 18 61 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CD30BBB3E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002CD30BC2EA0, 16 bytes long.
Data: < ` 0 > F0 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CD30BC3260, 16 bytes long.
Data: < ` 0 > C8 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CD30BC3350, 16 bytes long.
Data: < ` 0 > A0 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CD30BC28B0, 16 bytes long.
Data: <x` 0 > 78 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CD30BC2A40, 16 bytes long.
Data: <P` 0 > 50 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CD30BC2C70, 16 bytes long.
Data: <(` 0 > 28 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CD30BBAEA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002CD30BC2C20, 16 bytes long.
Data: < ` 0 > 00 60 BA 30 CD 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CD30BA6000, 320 bytes long.
Data: < , 0 0 > 20 2C BC 30 CD 02 00 00 A0 AE BB 30 CD 02 00 00
{268} normal block at 0x000002CD30BC33F0, 16 bytes long.
Data: < : 0 > B0 3A BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CD30BC2A90, 16 bytes long.
Data: < : 0 > 88 3A BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002CD30BBB740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002CD30BC2F40, 16 bytes long.
Data: <`: 0 > 60 3A BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CD30BBB020, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002CD30BC30D0, 16 bytes long.
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{262} normal block at 0x000002CD30BC3170, 16 bytes long.
Data: < 9 0 > 80 39 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002CD30BC3710, 16 bytes long.
Data: <X9 0 > 58 39 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002CD30BC2BD0, 16 bytes long.
Data: <09 0 > 30 39 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002CD30BC29F0, 16 bytes long.
Data: < 9 0 > 08 39 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CD30BC29A0, 16 bytes long.
Data: < 8 0 > E0 38 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002CD30BC3120, 16 bytes long.
Data: <P 0 > 50 D3 BB 30 CD 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002CD30BBD350, 40 bytes long.
Data: < 1 0 h 0 > 20 31 BC 30 CD 02 00 00 90 68 BA 30 CD 02 00 00
{254} normal block at 0x000002CD30BC34E0, 16 bytes long.
Data: < 8 0 > C0 38 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002CD30BC3210, 16 bytes long.
Data: < 8 0 > 98 38 BC 30 CD 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002CD30BBB260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002CD30BC32B0, 16 bytes long.
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{250} normal block at 0x000002CD30BC3870, 992 bytes long.
Data: < 2 0 ` 0 > B0 32 BC 30 CD 02 00 00 60 B2 BB 30 CD 02 00 00
{86} normal block at 0x000002CD30BBAD80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002CD30BB69D0, 16 bytes long.
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{63} normal block at 0x000002CD30BB6B60, 16 bytes long.
Data: < > 80 EA A7 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CD30BB6980, 16 bytes long.
Data: <@ > 40 E9 A7 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002CD30BB63E0, 16 bytes long.
Data: < W > F8 57 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002CD30BB66B0, 16 bytes long.
Data: < W > D8 57 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002CD30BB5D00, 16 bytes long.
Data: <P > 50 04 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002CD30BB65C0, 16 bytes long.
Data: <0 > 30 04 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002CD30BB6B10, 16 bytes long.
Data: < > E0 02 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002CD30BB68E0, 16 bytes long.
Data: < > 10 04 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002CD30BB6390, 16 bytes long.
Data: <p > 70 04 A4 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002CD30BB6020, 16 bytes long.
Data: < > 18 C0 A2 CA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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