Task 38615769
| Name | hif2a_2_A39_A14_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND7765_1 |
| Workunit | 31567722 |
| Created | 17 Apr 2026, 17:15:22 UTC |
| Sent | 17 Apr 2026, 17:38:13 UTC |
| Report deadline | 22 Apr 2026, 17:38:13 UTC |
| Received | 17 Apr 2026, 17:42:11 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652086 |
| Run time | 2 min 12 sec |
| CPU time | 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,856.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 168.83 MB |
| Peak swap size | 4.50 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
19:39:56 (7308): wrapper (7.9.26016): starting
19:39:56 (7308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A14_0.pdb
QB_A39_A14_0.xml
QB_A39_A14.inpcrd
QB_A39_A14_input.yaml
QB_A39_A14.pdb
QB_A39_A14.prmtop
QB_A39_A14_sys.xml
run.bat
run.sh
19:39:58 (7308): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:39:58 (7308): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\13\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\13\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\13\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
19:40:29 (7308): C:/Windows/system32/cmd.exe exited; CPU time 8.531250
19:40:29 (7308): app exit status: 0x16
19:40:29 (7308): 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: 335307 bytes.
Dumping objects ->
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{3835250} normal block at 0x0000011DAC475E20, 48 bytes long.
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{3835239} normal block at 0x0000011DAC475B10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x0000011DAC4752C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x0000011DAC475790, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x0000011DAE08B740, 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) : {3835173} normal block at 0x0000011DAC445A90, 8 bytes long.
Data: < û­ > 00 00 FB AD 1D 01 00 00
{3833947} normal block at 0x0000011DAC445540, 8 bytes long.
Data: < E¬ > 90 16 45 AC 1D 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000011DAC450AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000011DAC435BE0, 80 bytes long.
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: <X.E¬ > 58 2E 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
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Data: <0.E¬ > 30 2E 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000011DAC44CBE0, 32 bytes long.
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{281} normal block at 0x0000011DAC451DF0, 16 bytes long.
Data: <x[C¬ > 78 5B 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011DAC44C400, 32 bytes long.
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{279} normal block at 0x0000011DAC452480, 16 bytes long.
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{277} normal block at 0x0000011DAC451DA0, 16 bytes long.
Data: <([C¬ > 28 5B 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000011DAC4524D0, 16 bytes long.
Data: < [C¬ > 00 5B 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000011DAC4523E0, 16 bytes long.
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{274} normal block at 0x0000011DAC452930, 16 bytes long.
Data: <°ZC¬ > B0 5A 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000011DAC452390, 16 bytes long.
Data: < ZC¬ > 88 5A 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000011DAC44CD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000011DAC452A70, 16 bytes long.
Data: <`ZC¬ > 60 5A 43 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000011DAC435A60, 320 bytes long.
Data: <p*E¬ ÍD¬ > 70 2A 45 AC 1D 01 00 00 00 CD 44 AC 1D 01 00 00
{269} normal block at 0x0000011DAC451D50, 16 bytes long.
Data: <p-E¬ > 70 2D 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000011DAC452340, 16 bytes long.
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{267} normal block at 0x0000011DAC44C3A0, 32 bytes long.
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{266} normal block at 0x0000011DAC4528E0, 16 bytes long.
Data: < -E¬ > 20 2D 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000011DAC44CE80, 32 bytes long.
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{264} normal block at 0x0000011DAC451CB0, 16 bytes long.
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{263} normal block at 0x0000011DAC451C10, 16 bytes long.
Data: <@,E¬ > 40 2C 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
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Data: < ,E¬ > 18 2C 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000011DAC4529D0, 16 bytes long.
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{260} normal block at 0x0000011DAC451C60, 16 bytes long.
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{259} normal block at 0x0000011DAC451B70, 16 bytes long.
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{257} normal block at 0x0000011DAC451BC0, 16 bytes long.
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{256} normal block at 0x0000011DAC44D960, 40 bytes long.
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{255} normal block at 0x0000011DAC452AC0, 16 bytes long.
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{254} normal block at 0x0000011DAC452660, 16 bytes long.
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{253} normal block at 0x0000011DAC44CB80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000011DAC452070, 16 bytes long.
Data: <0+E¬ > 30 2B 45 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000011DAC452B30, 992 bytes long.
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{87} normal block at 0x0000011DAC44C4C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000011DAC445900, 16 bytes long.
Data: < ÔD¬ > 90 D4 44 AC 1D 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000011DAC44D490, 40 bytes long.
Data: < YD¬ ÀÄD¬ > 00 59 44 AC 1D 01 00 00 C0 C4 44 AC 1D 01 00 00
{64} normal block at 0x0000011DAC445590, 16 bytes long.
Data: < êS ö > 80 EA 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000011DAC445400, 16 bytes long.
Data: <@éS ö > 40 E9 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000011DAC445EA0, 16 bytes long.
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{61} normal block at 0x0000011DAC4454F0, 16 bytes long.
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{60} normal block at 0x0000011DAC4459A0, 16 bytes long.
Data: <P P ö > 50 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000011DAC4460D0, 16 bytes long.
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{58} normal block at 0x0000011DAC445C70, 16 bytes long.
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{57} normal block at 0x0000011DAC445E00, 16 bytes long.
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{56} normal block at 0x0000011DAC445D10, 16 bytes long.
Data: <p P ö > 70 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000011DAC446080, 16 bytes long.
Data: < ÀN ö > 18 C0 4E 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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