Task 38582386
| Name | HIF2A_A36_A09_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND5084_0 |
| Workunit | 31546707 |
| Created | 13 Dec 2025, 3:26:50 UTC |
| Sent | 13 Dec 2025, 3:26:52 UTC |
| Report deadline | 18 Dec 2025, 3:26:52 UTC |
| Received | 13 Dec 2025, 3:36:47 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627177 |
| Run time | 5 min 59 sec |
| CPU time | 43 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,958.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 229.58 MB |
| Peak swap size | 3.05 GB |
| Peak disk usage | 2.79 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:33:04 (1608): wrapper (7.9.26016): starting
19:33:04 (1608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
19:33:07 (1608): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:33:07 (1608): 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\11\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\11\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\11\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\11\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\11\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\11\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\11\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\11\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 1
19:34:42 (1608): C:/Windows/system32/cmd.exe exited; CPU time 43.640625
19:34:42 (1608): app exit status: 0x16
19:34:42 (1608): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 1260551 bytes.
Dumping objects ->
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{3835523} normal block at 0x0000018830860900, 48 bytes long.
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{3835512} normal block at 0x0000018830860740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835501} normal block at 0x00000188308602E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x0000018830860270, 48 bytes long.
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{3835459} normal block at 0x00000188324E5030, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x000001883235DCF0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835445} normal block at 0x000001883085DC10, 8 bytes long.
Data: < ã0 > 00 00 E3 30 88 01 00 00
{3834688} normal block at 0x000001883235E850, 140 bytes long.
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{3833959} normal block at 0x000001883085D1C0, 8 bytes long.
Data: <`Ö„0 > 60 D6 84 30 88 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000188308507E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018830851D90, 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: < g†0 > 18 67 86 30 88 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000188308662E0, 16 bytes long.
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{288} normal block at 0x0000018830860510, 48 bytes long.
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{287} normal block at 0x0000018830865570, 16 bytes long.
Data: < ´„0 > 18 B4 84 30 88 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018830861810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000018830866290, 16 bytes long.
Data: <ð³„0 > F0 B3 84 30 88 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000188308663D0, 16 bytes long.
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{282} normal block at 0x0000018830865BB0, 16 bytes long.
Data: < ³„0 > A0 B3 84 30 88 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018830865F20, 16 bytes long.
Data: <x³„0 > 78 B3 84 30 88 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018830865C00, 16 bytes long.
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{279} normal block at 0x0000018830865C50, 16 bytes long.
Data: <(³„0 > 28 B3 84 30 88 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018830860F10, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{277} normal block at 0x0000018830865B60, 16 bytes long.
Data: < ³„0 > 00 B3 84 30 88 01 00 00 00 00 00 00 00 00 00 00
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Data: <`[†0 †0 > 60 5B 86 30 88 01 00 00 10 0F 86 30 88 01 00 00
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Data: <¨f†0 > A8 66 86 30 88 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000188308617B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
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Data: < f†0 > 80 66 86 30 88 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018830861330, 32 bytes long.
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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Data: <xe†0 > 78 65 86 30 88 01 00 00 00 00 00 00 00 00 00 00
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Data: <Pe†0 > 50 65 86 30 88 01 00 00 00 00 00 00 00 00 00 00
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Data: <(e†0 > 28 65 86 30 88 01 00 00 00 00 00 00 00 00 00 00
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Data: < e†0 > 00 65 86 30 88 01 00 00 00 00 00 00 00 00 00 00
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{259} normal block at 0x0000018830861750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
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{92} normal block at 0x000001883085DD00, 16 bytes long.
Data: < Û„0 > 90 DB 84 30 88 01 00 00 00 00 00 00 00 00 00 00
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{66} normal block at 0x000001883085D5D0, 16 bytes long.
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{65} normal block at 0x000001883085DB20, 16 bytes long.
Data: <0 ‚Uö > 30 04 82 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001883085D990, 16 bytes long.
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{63} normal block at 0x000001883085DCB0, 16 bytes long.
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{62} normal block at 0x000001883085DAD0, 16 bytes long.
Data: <p ‚Uö > 70 04 82 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001883085D7B0, 16 bytes long.
Data: < À Uö > 18 C0 80 55 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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