Task 38688706
| Name | test_809-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3938_0 |
| Workunit | 31630030 |
| Created | 28 Oct 2026, 15:41:42 UTC |
| Sent | 28 Oct 2026, 15:41:46 UTC |
| Report deadline | 2 Nov 2026, 15:41:46 UTC |
| Received | 28 Oct 2026, 16:15:48 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 55 sec |
| CPU time | 50 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 | 415.79 MB |
| Peak swap size | 9.25 GB |
| Peak disk usage | 1.57 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>
17:12:38 (6652): wrapper (7.9.26016): starting
17:12:38 (6652): 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
17:12:40 (6652): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:12:41 (6652): 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\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 'C:\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\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 "C:\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 "C:\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
17:13:59 (6652): C:/Windows/system32/cmd.exe exited; CPU time 50.828125
17:13:59 (6652): app exit status: 0x16
17:13:59 (6652): 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: 1171505 bytes.
Dumping objects ->
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{3835361} normal block at 0x0000017905995900, 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 0x0000017905995740, 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 0x0000017905995A50, 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 0x0000017905995890, 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 0x0000017907648FB0, 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 0x000001790598E460, 8 bytes long.
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{3833953} normal block at 0x000001790598E5A0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000017905990430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <XU y > 58 55 99 05 79 01 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
{284} normal block at 0x0000017905994630, 16 bytes long.
Data: <8Ú y > 38 DA 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001790598F880, 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 0x0000017905994D60, 16 bytes long.
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{280} normal block at 0x00000179059945E0, 16 bytes long.
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{279} normal block at 0x0000017905994310, 16 bytes long.
Data: <ÀÙ y > C0 D9 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000179059946D0, 16 bytes long.
Data: < Ù y > 98 D9 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017905994590, 16 bytes long.
Data: <pÙ y > 70 D9 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017905994EF0, 16 bytes long.
Data: <HÙ y > 48 D9 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001790598F5E0, 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 0x0000017905994C70, 16 bytes long.
Data: < Ù y > 20 D9 98 05 79 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001790598D920, 320 bytes long.
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{271} normal block at 0x0000017905994B80, 16 bytes long.
Data: <èT y > E8 54 99 05 79 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001790598F6A0, 32 bytes long.
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{269} normal block at 0x0000017905994450, 16 bytes long.
Data: <ÀT y > C0 54 99 05 79 01 00 00 00 00 00 00 00 00 00 00
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Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
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{265} normal block at 0x0000017905994900, 16 bytes long.
Data: <¸S y > B8 53 99 05 79 01 00 00 00 00 00 00 00 00 00 00
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Data: < S y > 90 53 99 05 79 01 00 00 00 00 00 00 00 00 00 00
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Data: <hS y > 68 53 99 05 79 01 00 00 00 00 00 00 00 00 00 00
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Data: <@S y > 40 53 99 05 79 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017905995170, 16 bytes long.
Data: <0Ò— y > 30 D2 97 05 79 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001790597D230, 40 bytes long.
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{258} normal block at 0x0000017905994D10, 16 bytes long.
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Data: <øR y > F8 52 99 05 79 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001790598F700, 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 0x0000017905994810, 16 bytes long.
Data: <ÐR y > D0 52 99 05 79 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000179059952D0, 992 bytes long.
Data: < H y ÷ y > 10 48 99 05 79 01 00 00 00 F7 98 05 79 01 00 00
{90} normal block at 0x000001790598F040, 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 0x000001790598E050, 16 bytes long.
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Data: <Pà y @ð y > 50 E0 98 05 79 01 00 00 40 F0 98 05 79 01 00 00
{67} normal block at 0x000001790598DFB0, 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 0x000001790598DBF0, 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 0x000001790598E370, 16 bytes long.
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{64} normal block at 0x000001790598DCE0, 16 bytes long.
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{62} normal block at 0x000001790598DF60, 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 0x000001790598DD80, 16 bytes long.
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{60} normal block at 0x000001790598E550, 16 bytes long.
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{59} normal block at 0x000001790598DBA0, 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 0x000001790598E1E0, 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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