Task 38612192
| Name | MCL1_A15_A23_r0_3-QUICO_ATM_OpenFF_MCL1-3-6-RND8849_0 |
| Workunit | 31564832 |
| Created | 16 Apr 2026, 4:03:54 UTC |
| Sent | 16 Apr 2026, 4:03:59 UTC |
| Report deadline | 21 Apr 2026, 4:03:59 UTC |
| Received | 16 Apr 2026, 4:09:54 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 4 min 22 sec |
| CPU time | 1 min 49 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 | 247.85 MB |
| Peak swap size | 5.88 GB |
| Peak disk usage | 2.88 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>
06:05:32 (26576): wrapper (7.9.26016): starting
06:05:32 (26576): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A23_0.pdb
QB_A15_A23_0.xml
QB_A15_A23.inpcrd
QB_A15_A23_input.yaml
QB_A15_A23.pdb
QB_A15_A23.prmtop
QB_A15_A23_sys.xml
run.bat
run.sh
06:05:37 (26576): Library/usr/bin/tar.exe exited; CPU time 0.046875
06:05:37 (26576): 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\12\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\12\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\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\Programmes\BOINC\Données\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\12\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\12\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\Programmes\BOINC\Données\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\Programmes\BOINC\Données\slots\12\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\12\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
06:08:34 (26576): C:/Windows/system32/cmd.exe exited; CPU time 109.625000
06:08:34 (26576): app exit status: 0x16
06:08:34 (26576): 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: 2685777 bytes.
Dumping objects ->
{3835281} normal block at 0x000001D296B2EAF0, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835270} normal block at 0x000001D294E7BAB0, 48 bytes long.
Data: <HOME=E:\Programm> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835259} normal block at 0x000001D294E7B7A0, 48 bytes long.
Data: <TMP=E:\Programme> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 65
{3835248} normal block at 0x000001D294E7BE30, 48 bytes long.
Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835237} normal block at 0x000001D294E7BB90, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835206} normal block at 0x000001D296B2EA70, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835195} normal block at 0x000001D296ACAFA0, 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 0x000001D294E4D150, 8 bytes long.
Data: < E•Ò > 00 00 45 95 D2 01 00 00
{3834565} normal block at 0x000001D296ACAC30, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001D294E4DD30, 8 bytes long.
Data: <àÖã”Ò > E0 D6 E3 94 D2 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D294E40FD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D294E41AA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D294E56FD0, 16 bytes long.
Data: <Ø{å”Ò > D8 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D294E57570, 16 bytes long.
Data: <°{å”Ò > B0 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D294E50DB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D294E57390, 16 bytes long.
Data: < {å”Ò > 88 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D294E56E40, 16 bytes long.
Data: <`{å”Ò > 60 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D294E56E90, 16 bytes long.
Data: <8{å”Ò > 38 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D294E577A0, 16 bytes long.
Data: < {å”Ò > 10 7B E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D294E55570, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D294E57340, 16 bytes long.
Data: < ä”Ò > 18 07 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D294E51590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D294E57840, 16 bytes long.
Data: <ð ä”Ò > F0 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D294E56A30, 16 bytes long.
Data: <È ä”Ò > C8 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D294E56EE0, 16 bytes long.
Data: <  ä”Ò > A0 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D294E569E0, 16 bytes long.
Data: <x ä”Ò > 78 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D294E56DF0, 16 bytes long.
Data: <P ä”Ò > 50 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D294E56BC0, 16 bytes long.
Data: <( ä”Ò > 28 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D294E50BD0, 32 bytes long.
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 0x000001D294E57520, 16 bytes long.
Data: < ä”Ò > 00 06 E4 94 D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D294E40600, 320 bytes long.
Data: < uå”Ò Ð å”Ò > 20 75 E5 94 D2 01 00 00 D0 0B E5 94 D2 01 00 00
{274} normal block at 0x000001D294E574D0, 16 bytes long.
Data: <ðzå”Ò > F0 7A E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D294E57750, 16 bytes long.
Data: <Èzå”Ò > C8 7A E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D294E51050, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D294E56B70, 16 bytes long.
Data: < zå”Ò > A0 7A E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D294E51710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D294E56C10, 16 bytes long.
Data: <èyå”Ò > E8 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D294E57480, 16 bytes long.
Data: <Àyå”Ò > C0 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D294E56D50, 16 bytes long.
Data: < yå”Ò > 98 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D294E57110, 16 bytes long.
Data: <pyå”Ò > 70 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D294E56940, 16 bytes long.
Data: <Hyå”Ò > 48 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D294E56990, 16 bytes long.
Data: < yå”Ò > 20 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D294E573E0, 16 bytes long.
Data: <PVå”Ò > 50 56 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D294E55650, 40 bytes long.
Data: <àså”Ò pê²–Ò > E0 73 E5 94 D2 01 00 00 70 EA B2 96 D2 01 00 00
{260} normal block at 0x000001D294E56F80, 16 bytes long.
Data: < yå”Ò > 00 79 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D294E57610, 16 bytes long.
Data: <Øxå”Ò > D8 78 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D294E51890, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D294E57430, 16 bytes long.
Data: <°xå”Ò > B0 78 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D294E578B0, 992 bytes long.
Data: <0tå”Ò å”Ò > 30 74 E5 94 D2 01 00 00 90 18 E5 94 D2 01 00 00
{92} normal block at 0x000001D294E50F30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D294E4D290, 16 bytes long.
Data: < Uå”Ò > 00 55 E5 94 D2 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D294E55500, 40 bytes long.
Data: < Òä”Ò 0 å”Ò > 90 D2 E4 94 D2 01 00 00 30 0F E5 94 D2 01 00 00
{69} normal block at 0x000001D294E4D8D0, 16 bytes long.
Data: < ê$Cö > 80 EA 24 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D294E4DB00, 16 bytes long.
Data: <@é$Cö > 40 E9 24 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D294E4DF10, 16 bytes long.
Data: <øW!Cö > F8 57 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D294E4DE70, 16 bytes long.
Data: <ØW!Cö > D8 57 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D294E4DCE0, 16 bytes long.
Data: <P !Cö > 50 04 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D294E4D100, 16 bytes long.
Data: <0 !Cö > 30 04 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D294E4DD80, 16 bytes long.
Data: <à !Cö > E0 02 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D294E4DEC0, 16 bytes long.
Data: < !Cö > 10 04 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D294E4D790, 16 bytes long.
Data: <p !Cö > 70 04 21 43 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D294E4D5B0, 16 bytes long.
Data: < À Cö > 18 C0 1F 43 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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