Task 38607038
| Name | MCL1_A37_A11_r0_4-QUICO_ATM_OpenFF_MCL1-0-6-RND8165_1 |
| Workunit | 31560579 |
| Created | 14 Apr 2026, 8:33:32 UTC |
| Sent | 14 Apr 2026, 8:33:35 UTC |
| Report deadline | 19 Apr 2026, 8:33:35 UTC |
| Received | 14 Apr 2026, 8:40:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 2 min 31 sec |
| CPU time | 45 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,744.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 203.86 MB |
| Peak swap size | 5.83 GB |
| Peak disk usage | 1.43 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:37:34 (6812): wrapper (7.9.26016): starting
10:37:34 (6812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A11_0.pdb
QB_A37_A11_0.xml
QB_A37_A11.inpcrd
QB_A37_A11_input.yaml
QB_A37_A11.pdb
QB_A37_A11.prmtop
QB_A37_A11_sys.xml
run.bat
run.sh
10:37:39 (6812): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:37:39 (6812): 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 'E:\Programmes\BOINC\Données\slots\1\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 'E:\Programmes\BOINC\Données\slots\1\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 "E:\Programmes\BOINC\Données\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\Programmes\BOINC\Données\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\1\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 "E:\Programmes\BOINC\Données\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\Programmes\BOINC\Données\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\Programmes\BOINC\Données\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
10:38:44 (6812): C:/Windows/system32/cmd.exe exited; CPU time 45.218750
10:38:44 (6812): app exit status: 0x16
10:38:44 (6812): called boinc_finish(195)
0 bytes in 0 Free Blocks.
476 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: 1026039 bytes.
Dumping objects ->
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{3835248} normal block at 0x00000225A717B030, 48 bytes long.
Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
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Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835195} normal block at 0x00000225A8EFE880, 102 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) : {3835192} normal block at 0x00000225A714D930, 8 bytes long.
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Data: < Ö §% > 90 D6 13 A7 25 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000225A71423B0, 260 bytes long.
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Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
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Data: <h §% > 68 14 14 A7 25 02 00 00 00 00 00 00 00 00 00 00
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Data: < §% > 18 14 14 A7 25 02 00 00 00 00 00 00 00 00 00 00
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Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000225A7155D20, 16 bytes long.
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Data: <`f §% > 60 66 15 A7 25 02 00 00 00 00 00 00 00 00 00 00
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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: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
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Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000225A714D070, 16 bytes long.
Data: <  §% > A0 06 15 A7 25 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000225A71506A0, 40 bytes long.
Data: <pÐ §% P §% > 70 D0 14 A7 25 02 00 00 50 13 15 A7 25 02 00 00
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{65} normal block at 0x00000225A714D8E0, 16 bytes long.
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{64} normal block at 0x00000225A714D660, 16 bytes long.
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{63} normal block at 0x00000225A714DBB0, 16 bytes long.
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{62} normal block at 0x00000225A714D430, 16 bytes long.
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{61} normal block at 0x00000225A714D840, 16 bytes long.
Data: <p yÅ÷ > 70 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000225A714DA20, 16 bytes long.
Data: < ÀwÅ÷ > 18 C0 77 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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