Task 38625138
| Name | cdk8_A31_A25_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND1514_1 |
| Workunit | 31575390 |
| Created | 23 Apr 2026, 9:30:53 UTC |
| Sent | 23 Apr 2026, 9:31:03 UTC |
| Report deadline | 28 Apr 2026, 9:31:03 UTC |
| Received | 23 Apr 2026, 9:34:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637617 |
| Run time | 1 min 16 sec |
| CPU time | 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,499.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 953.57 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:32:07 (37052): wrapper (7.9.26016): starting
11:32:07 (37052): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A25_0.pdb
QB_A31_A25_0.xml
QB_A31_A25.inpcrd
QB_A31_A25_input.yaml
QB_A31_A25.pdb
QB_A31_A25.prmtop
QB_A31_A25_sys.xml
run.bat
run.sh
11:32:10 (37052): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:32:10 (37052): 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 'X:\BOINC_Data\02_9002\slots\0\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 'X:\BOINC_Data\02_9002\slots\0\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.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "X:\BOINC_Data\02_9002\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
11:32:30 (37052): C:/Windows/system32/cmd.exe exited; CPU time 5.500000
11:32:30 (37052): app exit status: 0x16
11:32:30 (37052): called boinc_finish(195)
0 bytes in 0 Free Blocks.
646 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: 475119 bytes.
Dumping objects ->
{3835638} normal block at 0x000001BD528C9840, 48 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835627} normal block at 0x000001BD528C9680, 48 bytes long.
Data: <HOME=X:\BOINC_DA> 48 4F 4D 45 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835616} normal block at 0x000001BD50A746F0, 48 bytes long.
Data: <TMP=X:\BOINC_DAT> 54 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835605} normal block at 0x000001BD50A74680, 48 bytes long.
Data: <TEMP=X:\BOINC_DA> 54 45 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835594} normal block at 0x000001BD50A744C0, 48 bytes long.
Data: <TMPDIR=X:\BOINC_> 54 4D 50 44 49 52 3D 58 3A 5C 42 4F 49 4E 43 5F
{3835563} normal block at 0x000001BD528BAE20, 64 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835552} normal block at 0x000001BD528C7C00, 195 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) : {3835549} normal block at 0x000001BD50A6CC90, 8 bytes long.
Data: < Q½ > 00 00 03 51 BD 01 00 00
{3834728} normal block at 0x000001BD528C8600, 195 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000001BD50A6D640, 8 bytes long.
Data: <°C”R½ > B0 43 94 52 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001BD50A61780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BD50A5C270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001BD50A75120, 16 bytes long.
Data: < a§P½ > 88 61 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BD50A75A30, 16 bytes long.
Data: <`a§P½ > 60 61 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BD50A70610, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001BD50A75CB0, 16 bytes long.
Data: <8a§P½ > 38 61 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BD50A75C60, 16 bytes long.
Data: < a§P½ > 10 61 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BD50A753F0, 16 bytes long.
Data: <è`§P½ > E8 60 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BD50A758A0, 16 bytes long.
Data: <À`§P½ > C0 60 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BD50A743E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001BD50A757B0, 16 bytes long.
Data: < þ¥P½ > 18 FE A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BD50A704F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001BD50A752B0, 16 bytes long.
Data: <ðý¥P½ > F0 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BD50A75850, 16 bytes long.
Data: <Èý¥P½ > C8 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BD50A75800, 16 bytes long.
Data: < ý¥P½ > A0 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BD50A75760, 16 bytes long.
Data: <xý¥P½ > 78 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BD50A75710, 16 bytes long.
Data: <Pý¥P½ > 50 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BD50A753A0, 16 bytes long.
Data: <(ý¥P½ > 28 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BD50A70670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001BD50A75C10, 16 bytes long.
Data: < ý¥P½ > 00 FD A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BD50A5FD00, 320 bytes long.
Data: < \§P½ p §P½ > 10 5C A7 50 BD 01 00 00 70 06 A7 50 BD 01 00 00
{272} normal block at 0x000001BD50A75990, 16 bytes long.
Data: < `§P½ > A0 60 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD50A74F90, 16 bytes long.
Data: <x`§P½ > 78 60 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BD50A70E50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001BD50A75B70, 16 bytes long.
Data: <P`§P½ > 50 60 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BD50A71090, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001BD50A75BC0, 16 bytes long.
Data: < _§P½ > 98 5F A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BD50A75D50, 16 bytes long.
Data: <p_§P½ > 70 5F A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BD50A756C0, 16 bytes long.
Data: <H_§P½ > 48 5F A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BD50A75670, 16 bytes long.
Data: < _§P½ > 20 5F A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BD50A75A80, 16 bytes long.
Data: <ø^§P½ > F8 5E A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BD50A75300, 16 bytes long.
Data: <Ð^§P½ > D0 5E A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BD50A750D0, 16 bytes long.
Data: < I§P½ > 20 49 A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BD50A74920, 40 bytes long.
Data: <ÐP§P½ ®‹R½ > D0 50 A7 50 BD 01 00 00 20 AE 8B 52 BD 01 00 00
{258} normal block at 0x000001BD50A75620, 16 bytes long.
Data: <°^§P½ > B0 5E A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BD50A75350, 16 bytes long.
Data: < ^§P½ > 88 5E A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BD50A70A30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001BD50A75940, 16 bytes long.
Data: <`^§P½ > 60 5E A7 50 BD 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001BD50A75E60, 992 bytes long.
Data: <@Y§P½ 0 §P½ > 40 59 A7 50 BD 01 00 00 30 0A A7 50 BD 01 00 00
{90} normal block at 0x000001BD50A70790, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001BD50A6D820, 16 bytes long.
Data: <`ì¥P½ > 60 EC A5 50 BD 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001BD50A5EC60, 40 bytes long.
Data: < ئP½ §P½ > 20 D8 A6 50 BD 01 00 00 90 07 A7 50 BD 01 00 00
{67} normal block at 0x000001BD50A6D370, 16 bytes long.
Data: < ê ¶÷ > 80 EA 88 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BD50A6D5F0, 16 bytes long.
Data: <@é ¶÷ > 40 E9 88 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BD50A6D910, 16 bytes long.
Data: <øW…¶÷ > F8 57 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BD50A6D2D0, 16 bytes long.
Data: <ØW…¶÷ > D8 57 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BD50A6D4B0, 16 bytes long.
Data: <P …¶÷ > 50 04 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BD50A6CE20, 16 bytes long.
Data: <0 …¶÷ > 30 04 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BD50A6CB50, 16 bytes long.
Data: <à …¶÷ > E0 02 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BD50A6CDD0, 16 bytes long.
Data: < …¶÷ > 10 04 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BD50A6D5A0, 16 bytes long.
Data: <p …¶÷ > 70 04 85 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BD50A6D280, 16 bytes long.
Data: < Àƒ¶÷ > 18 C0 83 B6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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