Task 38668348
| Name | test_439-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0034_0 |
| Workunit | 31610884 |
| Created | 25 Oct 2026, 11:28:51 UTC |
| Sent | 25 Oct 2026, 11:29:13 UTC |
| Report deadline | 30 Oct 2026, 11:29:13 UTC |
| Received | 25 Oct 2026, 11:39:06 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652307 |
| Run time | 3 min 8 sec |
| CPU time | 47 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,409.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 484.00 MB |
| Peak swap size | 9.34 GB |
| Peak disk usage | 1.47 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:36:21 (22000): wrapper (7.9.26016): starting
12:36:21 (22000): 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
12:36:23 (22000): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:36:23 (22000): 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\1\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\1\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 "C:\ProgramData\BOINC\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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 "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\1\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 "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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
12:37:43 (22000): C:/Windows/system32/cmd.exe exited; CPU time 47.609375
12:37:43 (22000): app exit status: 0x16
12:37:43 (22000): 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: 1038495 bytes.
Dumping objects ->
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{3835361} normal block at 0x0000026A03E85890, 48 bytes long.
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{3835350} normal block at 0x0000026A03E85E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835339} normal block at 0x0000026A03E85D60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835328} normal block at 0x0000026A03E85C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835297} normal block at 0x0000026A05CC75B0, 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) : {3835284} normal block at 0x0000026A03E7DF60, 8 bytes long.
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{3833953} normal block at 0x0000026A03E7DF10, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026A03E80070, 260 bytes long.
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{285} normal block at 0x0000026A03E85C80, 48 bytes long.
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{284} normal block at 0x0000026A03E84EA0, 16 bytes long.
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{283} normal block at 0x0000026A03E7F940, 32 bytes long.
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{282} normal block at 0x0000026A03E84630, 16 bytes long.
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{280} normal block at 0x0000026A03E84900, 16 bytes long.
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{279} normal block at 0x0000026A03E84400, 16 bytes long.
Data: <ÀÙç j > C0 D9 E7 03 6A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026A03E847C0, 16 bytes long.
Data: < Ùç j > 98 D9 E7 03 6A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026A03E84B30, 16 bytes long.
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{276} normal block at 0x0000026A03E85030, 16 bytes long.
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{275} normal block at 0x0000026A03E7F3A0, 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 0x0000026A03E84A90, 16 bytes long.
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{273} normal block at 0x0000026A03E7D920, 320 bytes long.
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{272} normal block at 0x0000026A03E84F40, 16 bytes long.
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{271} normal block at 0x0000026A03E84360, 16 bytes long.
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{270} normal block at 0x0000026A03E7ED40, 32 bytes long.
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{269} normal block at 0x0000026A03E84950, 16 bytes long.
Data: <ÀTè j > C0 54 E8 03 6A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026A03E7F4C0, 32 bytes long.
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{267} normal block at 0x0000026A03E84EF0, 16 bytes long.
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{266} normal block at 0x0000026A03E84FE0, 16 bytes long.
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{265} normal block at 0x0000026A03E84E50, 16 bytes long.
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{264} normal block at 0x0000026A03E850D0, 16 bytes long.
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{263} normal block at 0x0000026A03E84450, 16 bytes long.
Data: <hSè j > 68 53 E8 03 6A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026A03E84540, 16 bytes long.
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{260} normal block at 0x0000026A03E85260, 16 bytes long.
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{259} normal block at 0x0000026A03E6D230, 40 bytes long.
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{258} normal block at 0x0000026A03E849A0, 16 bytes long.
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{257} normal block at 0x0000026A03E844A0, 16 bytes long.
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{256} normal block at 0x0000026A03E7F820, 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 0x0000026A03E84DB0, 16 bytes long.
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{254} normal block at 0x0000026A03E852D0, 992 bytes long.
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{90} normal block at 0x0000026A03E7F100, 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 0x0000026A03E7DEC0, 16 bytes long.
Data: <@Ææ j > 40 C6 E6 03 6A 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000026A03E6C640, 40 bytes long.
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{66} normal block at 0x0000026A03E7DD80, 16 bytes long.
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{65} normal block at 0x0000026A03E7E1E0, 16 bytes long.
Data: <øWhÒ÷ > F8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026A03E7E3C0, 16 bytes long.
Data: <ØWhÒ÷ > D8 57 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026A03E7E6E0, 16 bytes long.
Data: <P hÒ÷ > 50 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026A03E7E370, 16 bytes long.
Data: <0 hÒ÷ > 30 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026A03E7E5F0, 16 bytes long.
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{60} normal block at 0x0000026A03E7E820, 16 bytes long.
Data: < hÒ÷ > 10 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026A03E7DDD0, 16 bytes long.
Data: <p hÒ÷ > 70 04 68 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026A03E7E230, 16 bytes long.
Data: < ÀfÒ÷ > 18 C0 66 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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