Task 38666389
| Name | test_806-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2810_1 |
| Workunit | 31608894 |
| Created | 25 Oct 2026, 3:02:09 UTC |
| Sent | 25 Oct 2026, 4:33:59 UTC |
| Report deadline | 30 Oct 2026, 4:33:59 UTC |
| Received | 25 Oct 2026, 4:37:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 648183 |
| Run time | 1 min 52 sec |
| CPU time | 19 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,859.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 364.07 MB |
| Peak swap size | 6.19 GB |
| Peak disk usage | 1.42 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>
00:35:18 (9520): wrapper (7.9.26016): starting
00:35:18 (9520): 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
00:35:19 (9520): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:35:19 (9520): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\14\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\14\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\14\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error loading CUDA module: CUDA_ERROR_JIT_COMPILER_NOT_FOUND (221)
00:35:56 (9520): C:/Windows/system32/cmd.exe exited; CPU time 19.171875
00:35:56 (9520): app exit status: 0x16
00:35:56 (9520): 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: 735661 bytes.
Dumping objects ->
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{3835190} normal block at 0x000001F7132098F0, 48 bytes long.
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{3835179} normal block at 0x000001F7132095E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835168} normal block at 0x000001F7132093B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835157} normal block at 0x000001F713209FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835126} normal block at 0x000001F714F17F40, 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) : {3835113} normal block at 0x000001F7131DDC50, 8 bytes long.
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Data: <@Ü ÷ > 40 DC 1C 13 F7 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F7131E26E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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{290} normal block at 0x000001F7131E66A0, 16 bytes long.
Data: < ÷ ÷ > 98 F7 1C 13 F7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F7131DFE60, 32 bytes long.
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{288} normal block at 0x000001F7131E61A0, 16 bytes long.
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{286} normal block at 0x000001F7131E6470, 16 bytes long.
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{285} normal block at 0x000001F7131E5FC0, 16 bytes long.
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{284} normal block at 0x000001F7131E6420, 16 bytes long.
Data: <øö ÷ > F8 F6 1C 13 F7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F7131E6A60, 16 bytes long.
Data: <Ðö ÷ > D0 F6 1C 13 F7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F7131E6600, 16 bytes long.
Data: <¨ö ÷ > A8 F6 1C 13 F7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F7131DF9E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001F7131E64C0, 16 bytes long.
Data: < ö ÷ > 80 F6 1C 13 F7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F7131CF680, 320 bytes long.
Data: <Àd ÷ àù ÷ > C0 64 1E 13 F7 01 00 00 E0 F9 1D 13 F7 01 00 00
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{276} normal block at 0x000001F7131DFDA0, 32 bytes long.
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{275} normal block at 0x000001F7131E6970, 16 bytes long.
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{270} normal block at 0x000001F7131E63D0, 16 bytes long.
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{269} normal block at 0x000001F7131E5E30, 16 bytes long.
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{268} normal block at 0x000001F7131E6830, 16 bytes long.
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{266} normal block at 0x000001F7131E6BF0, 16 bytes long.
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{265} normal block at 0x000001F7131E0CD0, 40 bytes long.
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{264} normal block at 0x000001F7131E6330, 16 bytes long.
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{263} normal block at 0x000001F7131E68D0, 16 bytes long.
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{262} normal block at 0x000001F7131DFD40, 32 bytes long.
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{261} normal block at 0x000001F7131E6880, 16 bytes long.
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{260} normal block at 0x000001F7131E6D00, 992 bytes long.
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{96} normal block at 0x000001F7131E0400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001F7131DD8E0, 16 bytes long.
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{94} normal block at 0x000001F7131E0720, 40 bytes long.
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{73} normal block at 0x000001F7131DE3D0, 16 bytes long.
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{72} normal block at 0x000001F7131DDCF0, 16 bytes long.
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{71} normal block at 0x000001F7131DDD40, 16 bytes long.
Data: <øW÷îö > F8 57 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F7131DE0B0, 16 bytes long.
Data: <ØW÷îö > D8 57 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F7131DE650, 16 bytes long.
Data: <P ÷îö > 50 04 F7 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F7131DDFC0, 16 bytes long.
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{67} normal block at 0x000001F7131DE600, 16 bytes long.
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{66} normal block at 0x000001F7131DDB10, 16 bytes long.
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{65} normal block at 0x000001F7131DDE80, 16 bytes long.
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{64} normal block at 0x000001F7131DD7A0, 16 bytes long.
Data: < Àõîö > 18 C0 F5 EE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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