Task 38688852
| Name | test_435-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5744_0 |
| Workunit | 31630158 |
| Created | 28 Oct 2026, 16:30:52 UTC |
| Sent | 28 Oct 2026, 16:30:57 UTC |
| Report deadline | 2 Nov 2026, 16:30:57 UTC |
| Received | 28 Oct 2026, 16:39:36 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 7 sec |
| CPU time | 46 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 | 485.59 MB |
| Peak swap size | 9.32 GB |
| Peak disk usage | 2.69 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>
17:36:26 (17080): wrapper (7.9.26016): starting
17:36:26 (17080): 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
17:36:32 (17080): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:36:33 (17080): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\6\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\6\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\6\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\6\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\6\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
17:37:54 (17080): C:/Windows/system32/cmd.exe exited; CPU time 46.437500
17:37:54 (17080): app exit status: 0x16
17:37:54 (17080): 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: 1040145 bytes.
Dumping objects ->
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{3835361} normal block at 0x000001C56EFA5CF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835350} normal block at 0x000001C56EFA5C80, 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 0x000001C56EFA57B0, 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 0x000001C56EFA59E0, 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 0x000001C570D88EB0, 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 0x000001C56EF9DF60, 8 bytes long.
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{3833953} normal block at 0x000001C56EF9E500, 8 bytes long.
Data: < ‡ÝpÅ > A0 87 DD 70 C5 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C56EFA0930, 260 bytes long.
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{290} normal block at 0x000001C56EF9EFE0, 32 bytes long.
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{286} normal block at 0x000001C56EFA4720, 16 bytes long.
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{285} normal block at 0x000001C56EFA5AC0, 48 bytes long.
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{284} normal block at 0x000001C56EFA5210, 16 bytes long.
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{283} normal block at 0x000001C56EF9EF80, 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 0x000001C56EFA4E00, 16 bytes long.
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{280} normal block at 0x000001C56EFA4EF0, 16 bytes long.
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{279} normal block at 0x000001C56EFA4C20, 16 bytes long.
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{278} normal block at 0x000001C56EFA4950, 16 bytes long.
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{277} normal block at 0x000001C56EFA4680, 16 bytes long.
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{276} normal block at 0x000001C56EFA49A0, 16 bytes long.
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{275} normal block at 0x000001C56EF9EE60, 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 0x000001C56EFA4630, 16 bytes long.
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{273} normal block at 0x000001C56EF9D920, 320 bytes long.
Data: <0FúnÅ `îùnÅ > 30 46 FA 6E C5 01 00 00 60 EE F9 6E C5 01 00 00
{272} normal block at 0x000001C56EFA4B30, 16 bytes long.
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{271} normal block at 0x000001C56EFA49F0, 16 bytes long.
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{270} normal block at 0x000001C56EF9F520, 32 bytes long.
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{265} normal block at 0x000001C56EFA4360, 16 bytes long.
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{264} normal block at 0x000001C56EFA4D60, 16 bytes long.
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{263} normal block at 0x000001C56EFA43B0, 16 bytes long.
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{262} normal block at 0x000001C56EFA4C70, 16 bytes long.
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{260} normal block at 0x000001C56EFA4310, 16 bytes long.
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{259} normal block at 0x000001C56EF8D230, 40 bytes long.
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{258} normal block at 0x000001C56EFA4900, 16 bytes long.
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{257} normal block at 0x000001C56EFA4D10, 16 bytes long.
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{256} normal block at 0x000001C56EF9F3A0, 32 bytes long.
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{255} normal block at 0x000001C56EFA48B0, 16 bytes long.
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{254} normal block at 0x000001C56EFA52D0, 992 bytes long.
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{90} normal block at 0x000001C56EF9EEC0, 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 0x000001C56EF9E1E0, 16 bytes long.
Data: <@ÆønÅ > 40 C6 F8 6E C5 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001C56EF8C640, 40 bytes long.
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{67} normal block at 0x000001C56EF9DFB0, 16 bytes long.
Data: < ê?\ö > 80 EA 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C56EF9E690, 16 bytes long.
Data: <@é?\ö > 40 E9 3F 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C56EF9E410, 16 bytes long.
Data: <øW<\ö > F8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C56EF9E7D0, 16 bytes long.
Data: <ØW<\ö > D8 57 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C56EF9E3C0, 16 bytes long.
Data: <P <\ö > 50 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C56EF9EA50, 16 bytes long.
Data: <0 <\ö > 30 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C56EF9DBA0, 16 bytes long.
Data: <à <\ö > E0 02 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C56EF9E5A0, 16 bytes long.
Data: < <\ö > 10 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C56EF9E640, 16 bytes long.
Data: <p <\ö > 70 04 3C 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C56EF9E9B0, 16 bytes long.
Data: < À:\ö > 18 C0 3A 5C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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