Task 38616016
| Name | hif2a_2_A37_A07_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND9123_1 |
| Workunit | 31567674 |
| Created | 17 Apr 2026, 18:08:45 UTC |
| Sent | 17 Apr 2026, 18:09:01 UTC |
| Report deadline | 22 Apr 2026, 18:09:01 UTC |
| Received | 17 Apr 2026, 18:19:53 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 | 18 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 | 152.87 MB |
| Peak swap size | 4.48 GB |
| Peak disk usage | 4.01 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
20:17:26 (10824): wrapper (7.9.26016): starting
20:17:26 (10824): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A07_0.pdb
QB_A37_A07_0.xml
QB_A37_A07.inpcrd
QB_A37_A07_input.yaml
QB_A37_A07.pdb
QB_A37_A07.prmtop
QB_A37_A07_sys.xml
run.bat
run.sh
20:17:27 (10824): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:17:27 (10824): 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
20:17:59 (10824): C:/Windows/system32/cmd.exe exited; CPU time 18.328125
20:17:59 (10824): app exit status: 0x16
20:17:59 (10824): 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: 401657 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x0000021CD4E36270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x0000021CD4E36820, 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 0x0000021CD4E36120, 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 0x0000021CD4E36040, 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 0x0000021CD68CDEF0, 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 0x0000021CD4E05F70, 8 bytes long.
Data: < ÞÔ > 00 00 DE D4 1C 02 00 00
{3833947} normal block at 0x0000021CD4E06380, 8 bytes long.
Data: < úžÖ > A0 FA 9E D6 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000021CD4E11690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CD4E0CBE0, 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 0x0000021CD4E13300, 16 bytes long.
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Data: < 9áÔ > 10 39 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021CD4E07910, 32 bytes long.
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{285} normal block at 0x0000021CD4E132B0, 16 bytes long.
Data: <À8áÔ > C0 38 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021CD4E13170, 16 bytes long.
Data: < 8áÔ > 98 38 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CD4E12810, 16 bytes long.
Data: <p8áÔ > 70 38 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CD4E0BDA0, 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 0x0000021CD4E12B80, 16 bytes long.
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{280} normal block at 0x0000021CD4E07490, 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 0x0000021CD4E13030, 16 bytes long.
Data: <PËàÔ > 50 CB E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021CD4E12590, 16 bytes long.
Data: <(ËàÔ > 28 CB E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CD4E130D0, 16 bytes long.
Data: < ËàÔ > 00 CB E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021CD4E128B0, 16 bytes long.
Data: <ØÊàÔ > D8 CA E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CD4E12D10, 16 bytes long.
Data: <°ÊàÔ > B0 CA E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CD4E12DB0, 16 bytes long.
Data: < ÊàÔ > 88 CA E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021CD4E07790, 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 0x0000021CD4E124F0, 16 bytes long.
Data: <`ÊàÔ > 60 CA E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021CD4E0CA60, 320 bytes long.
Data: <ð$áÔ wàÔ > F0 24 E1 D4 1C 02 00 00 90 77 E0 D4 1C 02 00 00
{269} normal block at 0x0000021CD4E124A0, 16 bytes long.
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{268} normal block at 0x0000021CD4E13260, 16 bytes long.
Data: <(8áÔ > 28 38 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CD4E076D0, 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 0x0000021CD4E13210, 16 bytes long.
Data: < 8áÔ > 00 38 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CD4E07610, 32 bytes long.
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{264} normal block at 0x0000021CD4E12AE0, 16 bytes long.
Data: <H7áÔ > 48 37 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021CD4E12A40, 16 bytes long.
Data: < 7áÔ > 20 37 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CD4E12D60, 16 bytes long.
Data: <ø6áÔ > F8 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021CD4E12A90, 16 bytes long.
Data: <Ð6áÔ > D0 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021CD4E12CC0, 16 bytes long.
Data: <¨6áÔ > A8 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CD4E12FE0, 16 bytes long.
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{257} normal block at 0x0000021CD4E12B30, 16 bytes long.
Data: <0ÄàÔ > 30 C4 E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021CD4E0C430, 40 bytes long.
Data: <0+áÔ ðÞŒÖ > 30 2B E1 D4 1C 02 00 00 F0 DE 8C D6 1C 02 00 00
{255} normal block at 0x0000021CD4E129F0, 16 bytes long.
Data: <`6áÔ > 60 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000021CD4E12770, 16 bytes long.
Data: <86áÔ > 38 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021CD4E07850, 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 0x0000021CD4E12C70, 16 bytes long.
Data: < 6áÔ > 10 36 E1 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000021CD4E13610, 992 bytes long.
Data: <p,áÔ PxàÔ > 70 2C E1 D4 1C 02 00 00 50 78 E0 D4 1C 02 00 00
{87} normal block at 0x0000021CD4E07970, 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 0x0000021CD4E05C00, 16 bytes long.
Data: < ¾àÔ > 80 BE E0 D4 1C 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000021CD4E0BE80, 40 bytes long.
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{64} normal block at 0x0000021CD4E06A60, 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 0x0000021CD4E069C0, 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 0x0000021CD4E06420, 16 bytes long.
Data: <øWP ö > F8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CD4E06790, 16 bytes long.
Data: <ØWP ö > D8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021CD4E060B0, 16 bytes long.
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{59} normal block at 0x0000021CD4E06330, 16 bytes long.
Data: <0 P ö > 30 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021CD4E063D0, 16 bytes long.
Data: <à P ö > E0 02 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021CD4E062E0, 16 bytes long.
Data: < P ö > 10 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021CD4E061F0, 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 0x0000021CD4E06010, 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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