Task 38672341
| Name | test_108-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1347_0 |
| Workunit | 31614492 |
| Created | 25 Oct 2026, 23:08:26 UTC |
| Sent | 25 Oct 2026, 23:08:34 UTC |
| Report deadline | 30 Oct 2026, 23:08:34 UTC |
| Received | 25 Oct 2026, 23:16:23 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652307 |
| Run time | 2 min 56 sec |
| CPU time | 56 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 | 428.14 MB |
| Peak swap size | 9.26 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>
00:13:49 (14372): wrapper (7.9.26016): starting
00:13:49 (14372): 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
00:13:51 (14372): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:13:51 (14372): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\16\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\16\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\16\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
00:15:13 (14372): C:/Windows/system32/cmd.exe exited; CPU time 56.218750
00:15:13 (14372): app exit status: 0x16
00:15:13 (14372): 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: 1130591 bytes.
Dumping objects ->
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{3835350} normal block at 0x000001E1D5AF5890, 48 bytes long.
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{3835339} normal block at 0x000001E1D5AF5D60, 48 bytes long.
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{3835328} normal block at 0x000001E1D5AF5C10, 48 bytes long.
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{3835297} normal block at 0x000001E1D77538B0, 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 0x000001E1D5AEE6E0, 8 bytes long.
Data: < úÕá > 00 00 FA D5 E1 01 00 00
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Data: < ‡z×á > A0 87 7A D7 E1 01 00 00
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{287} normal block at 0x000001E1D5AF4540, 16 bytes long.
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{285} normal block at 0x000001E1D5AF59E0, 48 bytes long.
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{283} normal block at 0x000001E1D5AEF340, 32 bytes long.
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{282} normal block at 0x000001E1D5AF4400, 16 bytes long.
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{280} normal block at 0x000001E1D5AF4310, 16 bytes long.
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{279} normal block at 0x000001E1D5AF4680, 16 bytes long.
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{278} normal block at 0x000001E1D5AF4E50, 16 bytes long.
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{277} normal block at 0x000001E1D5AF4AE0, 16 bytes long.
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{276} normal block at 0x000001E1D5AF4450, 16 bytes long.
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{275} normal block at 0x000001E1D5AEF700, 32 bytes long.
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{274} normal block at 0x000001E1D5AF4860, 16 bytes long.
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{273} normal block at 0x000001E1D5AED920, 320 bytes long.
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{272} normal block at 0x000001E1D5AF4A40, 16 bytes long.
Data: < U¯Õá > 10 55 AF D5 E1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E1D5AF4A90, 16 bytes long.
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{270} normal block at 0x000001E1D5AEEFE0, 32 bytes long.
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{267} normal block at 0x000001E1D5AF45E0, 16 bytes long.
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{266} normal block at 0x000001E1D5AF43B0, 16 bytes long.
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{265} normal block at 0x000001E1D5AF5210, 16 bytes long.
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{264} normal block at 0x000001E1D5AF4360, 16 bytes long.
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{263} normal block at 0x000001E1D5AF4810, 16 bytes long.
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{262} normal block at 0x000001E1D5AF4D60, 16 bytes long.
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{260} normal block at 0x000001E1D5AF4B30, 16 bytes long.
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{259} normal block at 0x000001E1D5ADD230, 40 bytes long.
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{258} normal block at 0x000001E1D5AF5170, 16 bytes long.
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{257} normal block at 0x000001E1D5AF5260, 16 bytes long.
Data: <øR¯Õá > F8 52 AF D5 E1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E1D5AEEC80, 32 bytes long.
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{255} normal block at 0x000001E1D5AF51C0, 16 bytes long.
Data: <ÐR¯Õá > D0 52 AF D5 E1 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E1D5AF52D0, 992 bytes long.
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{90} normal block at 0x000001E1D5AEF400, 32 bytes long.
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{88} normal block at 0x000001E1D5ADC640, 40 bytes long.
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{67} normal block at 0x000001E1D5AEE3C0, 16 bytes long.
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{66} normal block at 0x000001E1D5AEDB50, 16 bytes long.
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{65} normal block at 0x000001E1D5AEEAA0, 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 0x000001E1D5AEDDD0, 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 0x000001E1D5AEE550, 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 0x000001E1D5AEEA50, 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 0x000001E1D5AEE960, 16 bytes long.
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{60} normal block at 0x000001E1D5AEEA00, 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 0x000001E1D5AEE8C0, 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 0x000001E1D5AEE7D0, 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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