Task 38662046
| Name | test_1685-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4990_1 |
| Workunit | 31603301 |
| Created | 24 Oct 2026, 16:57:43 UTC |
| Sent | 24 Oct 2026, 17:29:02 UTC |
| Report deadline | 29 Oct 2026, 17:29:02 UTC |
| Received | 24 Oct 2026, 17:40:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652570 |
| Run time | 2 min 19 sec |
| CPU time | 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,454.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 348.96 MB |
| Peak swap size | 4.69 GB |
| Peak disk usage | 4.04 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:38:12 (20448): wrapper (7.9.26016): starting
18:38:12 (20448): 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
18:38:14 (20448): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:38:14 (20448): 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 'E:\ProgramData\BOINC\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 'E:\ProgramData\BOINC\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 "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\ProgramData\BOINC\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 "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\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
18:38:54 (20448): C:/Windows/system32/cmd.exe exited; CPU time 9.390625
18:38:54 (20448): app exit status: 0x16
18:38:54 (20448): 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: 656269 bytes.
Dumping objects ->
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{3835170} normal block at 0x000002CEFC736190, 48 bytes long.
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{3835159} normal block at 0x000002CEFC735B70, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835148} normal block at 0x000002CEFC736430, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835137} normal block at 0x000002CEFC735D30, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835106} normal block at 0x000002CEFE34BE60, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x000002CEFC706BE0, 8 bytes long.
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{3833951} normal block at 0x000002CEFC706B40, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002CEFC7112F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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{286} normal block at 0x000002CEFC712A60, 16 bytes long.
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Data: < 7qüÎ > 20 37 71 FC CE 02 00 00 00 00 00 00 00 00 00 00
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Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002CEFC7122E0, 16 bytes long.
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{282} normal block at 0x000002CEFC70CEC0, 32 bytes long.
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{281} normal block at 0x000002CEFC7126F0, 16 bytes long.
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{279} normal block at 0x000002CEFC713000, 16 bytes long.
Data: <¨ÅpüÎ > A8 C5 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002CEFC712240, 16 bytes long.
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{277} normal block at 0x000002CEFC7126A0, 16 bytes long.
Data: <XÅpüÎ > 58 C5 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CEFC712FB0, 16 bytes long.
Data: <0ÅpüÎ > 30 C5 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CEFC712F10, 16 bytes long.
Data: < ÅpüÎ > 08 C5 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CEFC70D580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002CEFC712CE0, 16 bytes long.
Data: <àÄpüÎ > E0 C4 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CEFC70C4E0, 320 bytes long.
Data: <à,qüÎ ÕpüÎ > E0 2C 71 FC CE 02 00 00 80 D5 70 FC CE 02 00 00
{271} normal block at 0x000002CEFC7124C0, 16 bytes long.
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{270} normal block at 0x000002CEFC712470, 16 bytes long.
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{269} normal block at 0x000002CEFC70CE00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002CEFC712E70, 16 bytes long.
Data: <°6qüÎ > B0 36 71 FC CE 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CEFC70CAA0, 32 bytes long.
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{266} normal block at 0x000002CEFC712C90, 16 bytes long.
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{265} normal block at 0x000002CEFC712880, 16 bytes long.
Data: <Ð5qüÎ > D0 35 71 FC CE 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002CEFC712F60, 16 bytes long.
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{263} normal block at 0x000002CEFC7121F0, 16 bytes long.
Data: < 5qüÎ > 80 35 71 FC CE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CEFC712E20, 16 bytes long.
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{261} normal block at 0x000002CEFC712DD0, 16 bytes long.
Data: <05qüÎ > 30 35 71 FC CE 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002CEFC712C40, 16 bytes long.
Data: <дpüÎ > D0 B4 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002CEFC70B4D0, 40 bytes long.
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{257} normal block at 0x000002CEFC712B00, 16 bytes long.
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{256} normal block at 0x000002CEFC7125B0, 16 bytes long.
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{255} normal block at 0x000002CEFC70D2E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002CEFC712EC0, 16 bytes long.
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{253} normal block at 0x000002CEFC7134C0, 992 bytes long.
Data: <À.qüÎ àÒpüÎ > C0 2E 71 FC CE 02 00 00 E0 D2 70 FC CE 02 00 00
{89} normal block at 0x000002CEFC70CE60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002CEFC7069B0, 16 bytes long.
Data: <ð³püÎ > F0 B3 70 FC CE 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002CEFC70B3F0, 40 bytes long.
Data: <°ipüÎ `ÎpüÎ > B0 69 70 FC CE 02 00 00 60 CE 70 FC CE 02 00 00
{66} normal block at 0x000002CEFC707220, 16 bytes long.
Data: < êl]÷ > 80 EA 6C 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002CEFC7071D0, 16 bytes long.
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{64} normal block at 0x000002CEFC707180, 16 bytes long.
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{63} normal block at 0x000002CEFC706AF0, 16 bytes long.
Data: <ØWi]÷ > D8 57 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002CEFC706A00, 16 bytes long.
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{61} normal block at 0x000002CEFC706820, 16 bytes long.
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{60} normal block at 0x000002CEFC7067D0, 16 bytes long.
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{59} normal block at 0x000002CEFC706AA0, 16 bytes long.
Data: < i]÷ > 10 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002CEFC707130, 16 bytes long.
Data: <p i]÷ > 70 04 69 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002CEFC706730, 16 bytes long.
Data: < Àg]÷ > 18 C0 67 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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