Task 38616434
| Name | hif2a_A14_A05_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-4-6-RND7436_1 |
| Workunit | 31566425 |
| Created | 17 Apr 2026, 20:28:44 UTC |
| Sent | 17 Apr 2026, 20:29:09 UTC |
| Report deadline | 22 Apr 2026, 20:29:09 UTC |
| Received | 17 Apr 2026, 20:35:29 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 3 min 43 sec |
| CPU time | 14 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,692.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 214.27 MB |
| Peak swap size | 9.06 GB |
| Peak disk usage | 1.44 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
23:32:13 (8968): wrapper (7.9.26016): starting
23:32:13 (8968): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A05_0.pdb
QB_A14_A05_0.xml
QB_A14_A05.inpcrd
QB_A14_A05_input.yaml
QB_A14_A05.pdb
QB_A14_A05.prmtop
QB_A14_A05_sys.xml
run.bat
run.sh
23:32:16 (8968): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:32:16 (8968): 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 initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
23:33:07 (8968): C:/Windows/system32/cmd.exe exited; CPU time 14.843750
23:33:07 (8968): app exit status: 0x16
23:33:07 (8968): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 472157 bytes.
Dumping objects ->
{3835309} normal block at 0x000001AB4FCB0920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001AB4FCB0AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001AB4FCB13A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001AB4FCB1100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001AB4FCB0BC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001AB4FD5AB70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001AB4FCBA000, 180 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) : {3835220} normal block at 0x000001AB4DFF6E40, 8 bytes long.
Data: < üM« > 00 00 FC 4D AB 01 00 00
{3834574} normal block at 0x000001AB4FCBAB40, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001AB4DFF6850, 8 bytes long.
Data: <pÒO« > 70 8D D2 4F AB 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001AB4E001460, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AB4DFE5BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001AB4E0024F0, 16 bytes long.
Data: <X5 N« > 58 35 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AB4E002630, 16 bytes long.
Data: <05 N« > 30 35 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AB4DFFE310, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001AB4E002360, 16 bytes long.
Data: < 5 N« > 08 35 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AB4E0023B0, 16 bytes long.
Data: <à4 N« > E0 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AB4E002590, 16 bytes long.
Data: <¸4 N« > B8 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AB4E0022C0, 16 bytes long.
Data: <4 N« > 90 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AB4DFFE750, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001AB4E0025E0, 16 bytes long.
Data: <x[þM« > 78 5B FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AB4DFFDAD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001AB4E0031C0, 16 bytes long.
Data: <P[þM« > 50 5B FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AB4E002680, 16 bytes long.
Data: <([þM« > 28 5B FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AB4E002C70, 16 bytes long.
Data: < [þM« > 00 5B FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AB4E0029A0, 16 bytes long.
Data: <ØZþM« > D8 5A FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AB4E002950, 16 bytes long.
Data: <°ZþM« > B0 5A FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AB4E0024A0, 16 bytes long.
Data: < ZþM« > 88 5A FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AB4DFFDA70, 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 0x000001AB4E002450, 16 bytes long.
Data: <`ZþM« > 60 5A FE 4D AB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AB4DFE5A60, 320 bytes long.
Data: <P$ N« pÚÿM« > 50 24 00 4E AB 01 00 00 70 DA FF 4D AB 01 00 00
{269} normal block at 0x000001AB4E003170, 16 bytes long.
Data: <p4 N« > 70 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AB4E003120, 16 bytes long.
Data: <H4 N« > 48 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AB4DFFDFB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001AB4E003080, 16 bytes long.
Data: < 4 N« > 20 34 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AB4DFFD9B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001AB4E003030, 16 bytes long.
Data: <h3 N« > 68 33 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AB4E002F40, 16 bytes long.
Data: <@3 N« > 40 33 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AB4E0030D0, 16 bytes long.
Data: < 3 N« > 18 33 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AB4E0028B0, 16 bytes long.
Data: <ð2 N« > F0 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AB4E002860, 16 bytes long.
Data: <È2 N« > C8 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AB4E002E50, 16 bytes long.
Data: < 2 N« > A0 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AB4E002FE0, 16 bytes long.
Data: <€éÿM« > 80 E9 FF 4D AB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AB4DFFE980, 40 bytes long.
Data: <à/ N« p«ÕO« > E0 2F 00 4E AB 01 00 00 70 AB D5 4F AB 01 00 00
{255} normal block at 0x000001AB4E002720, 16 bytes long.
Data: <€2 N« > 80 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001AB4E002C20, 16 bytes long.
Data: <X2 N« > 58 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001AB4DFFE3D0, 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 0x000001AB4E002BD0, 16 bytes long.
Data: <02 N« > 30 32 00 4E AB 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001AB4E003230, 992 bytes long.
Data: <Ð+ N« ÐãÿM« > D0 2B 00 4E AB 01 00 00 D0 E3 FF 4D AB 01 00 00
{87} normal block at 0x000001AB4DFFD8F0, 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 0x000001AB4DFF6D50, 16 bytes long.
Data: <0èÿM« > 30 E8 FF 4D AB 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001AB4DFFE830, 40 bytes long.
Data: <PmÿM« ðØÿM« > 50 6D FF 4D AB 01 00 00 F0 D8 FF 4D AB 01 00 00
{64} normal block at 0x000001AB4DFF6A30, 16 bytes long.
Data: <€ê,'ö > 80 EA 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AB4DFF69E0, 16 bytes long.
Data: <@é,'ö > 40 E9 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AB4DFF6710, 16 bytes long.
Data: <øW)'ö > F8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AB4DFF6F80, 16 bytes long.
Data: <ØW)'ö > D8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AB4DFF7250, 16 bytes long.
Data: <P )'ö > 50 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AB4DFF7020, 16 bytes long.
Data: <0 )'ö > 30 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AB4DFF6670, 16 bytes long.
Data: <à )'ö > E0 02 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AB4DFF66C0, 16 bytes long.
Data: < )'ö > 10 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001AB4DFF6AD0, 16 bytes long.
Data: <p )'ö > 70 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001AB4DFF70C0, 16 bytes long.
Data: < À''ö > 18 C0 27 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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