Task 38680951
| Name | test_330-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7725_0 |
| Workunit | 31622646 |
| Created | 27 Oct 2026, 2:07:49 UTC |
| Sent | 27 Oct 2026, 2:07:56 UTC |
| Report deadline | 1 Nov 2026, 2:07:56 UTC |
| Received | 27 Oct 2026, 3:07:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 648831 |
| Run time | 13 min 46 sec |
| CPU time | 11 min 24 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 731.93 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
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(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:39:02 (23080): wrapper (7.9.26016): starting
11:39:02 (23080): 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
11:39:04 (23080): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:39:04 (23080): 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\28\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\28\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.
11:54:24 (20824): wrapper (7.9.26016): starting
11:54:24 (20824): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\28\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\28\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\28\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\28\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 "C:\ProgramData\BOINC\slots\28\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\28\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\28\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\28\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'
11:55:05 (20824): C:/Windows/system32/cmd.exe exited; CPU time 24.500000
11:55:05 (20824): app exit status: 0x16
11:55:05 (20824): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 597093 bytes.
Dumping objects ->
{1614} normal block at 0x000001531B168230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000001531B1681C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000001531B168700, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000001531B1680E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000001531B168620, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000001531B154750, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x000001531B155EC0, 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) : {1525} normal block at 0x000001531B16DEB0, 8 bytes long.
Data: < S > 00 00 0F 1B 53 01 00 00
{909} normal block at 0x000001531B1690C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{307} normal block at 0x000001531B16E630, 8 bytes long.
Data: < S > F0 EC 16 1B 53 01 00 00
{298} normal block at 0x000001531B157E30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001531B16E220, 16 bytes long.
Data: < S > F8 EB 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001531B16DC30, 16 bytes long.
Data: < S > D0 EB 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001531B169950, 32 bytes long.
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{293} normal block at 0x000001531B16E130, 16 bytes long.
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{292} normal block at 0x000001531B16DBE0, 16 bytes long.
Data: <X S > 58 EB 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001531B16DFA0, 16 bytes long.
Data: <0 S > 30 EB 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001531B1687E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001531B16E400, 16 bytes long.
Data: < 6 S > 88 36 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001531B169890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001531B16DE60, 16 bytes long.
Data: <`6 S > 60 36 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001531B16DE10, 16 bytes long.
Data: <86 S > 38 36 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001531B16DB40, 16 bytes long.
Data: < 6 S > 10 36 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001531B16D960, 16 bytes long.
Data: < 5 S > E8 35 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001531B16DFF0, 16 bytes long.
Data: < 5 S > C0 35 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001531B16E090, 16 bytes long.
Data: < 5 S > 98 35 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001531B169A70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001531B16DAF0, 16 bytes long.
Data: <p5 S > 70 35 15 1B 53 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001531B153570, 320 bytes long.
Data: < S p S > F0 DA 16 1B 53 01 00 00 70 9A 16 1B 53 01 00 00
{277} normal block at 0x000001531B16DD20, 16 bytes long.
Data: < S > 10 EB 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001531B16DA50, 16 bytes long.
Data: < S > E8 EA 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001531B169290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001531B16E3B0, 16 bytes long.
Data: < S > C0 EA 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001531B169AD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
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{270} normal block at 0x000001531B16DC80, 16 bytes long.
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{269} normal block at 0x000001531B16DB90, 16 bytes long.
Data: < S > 90 E9 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001531B16E4F0, 16 bytes long.
Data: <h S > 68 E9 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001531B16E5E0, 16 bytes long.
Data: <@ S > 40 E9 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001531B16E2C0, 16 bytes long.
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{264} normal block at 0x000001531B1685B0, 40 bytes long.
Data: < S PG S > C0 E2 16 1B 53 01 00 00 50 47 15 1B 53 01 00 00
{263} normal block at 0x000001531B16E040, 16 bytes long.
Data: < S > 20 E9 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001531B16DAA0, 16 bytes long.
Data: < S > F8 E8 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001531B1692F0, 32 bytes long.
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{260} normal block at 0x000001531B16DDC0, 16 bytes long.
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{95} normal block at 0x000001531B1693B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001531B15E030, 16 bytes long.
Data: <@ S > 40 85 16 1B 53 01 00 00 00 00 00 00 00 00 00 00
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Data: <0 S S > 30 E0 15 1B 53 01 00 00 B0 93 16 1B 53 01 00 00
{70} normal block at 0x000001531B15D5E0, 16 bytes long.
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{69} normal block at 0x000001531B15DB80, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001531B15D590, 16 bytes long.
Data: < W ; > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001531B15E120, 16 bytes long.
Data: < W ; > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001531B15DF40, 16 bytes long.
Data: <P ; > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001531B15DA40, 16 bytes long.
Data: <0 ; > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001531B15D6D0, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001531B15D7C0, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001531B15DE00, 16 bytes long.
Data: <p ; > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001531B15DCC0, 16 bytes long.
Data: < : > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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