Task 38610186
| Name | MCL1_A35_A41_r0_4-QUICO_ATM_OpenFF_MCL1-1-6-RND2512_0 |
| Workunit | 31563134 |
| Created | 15 Apr 2026, 7:22:45 UTC |
| Sent | 15 Apr 2026, 7:22:50 UTC |
| Report deadline | 20 Apr 2026, 7:22:50 UTC |
| Received | 15 Apr 2026, 7:29:16 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 8 sec |
| CPU time | 1 min 26 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 | 236.21 MB |
| Peak swap size | 5.86 GB |
| Peak disk usage | 2.89 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>
09:24:26 (13624): wrapper (7.9.26016): starting
09:24:26 (13624): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A35_A41_0.pdb
QB_A35_A41_0.xml
QB_A35_A41.inpcrd
QB_A35_A41_input.yaml
QB_A35_A41.pdb
QB_A35_A41.prmtop
QB_A35_A41_sys.xml
run.bat
run.sh
09:24:31 (13624): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:24:31 (13624): 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"
09:27:10 (13624): C:/Windows/system32/cmd.exe exited; CPU time 86.375000
09:27:10 (13624): app exit status: 0x16
09:27:10 (13624): 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: 2070051 bytes.
Dumping objects ->
{3835281} normal block at 0x000002EDC3BCEE10, 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 0x000002EDC207FFE0, 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 0x000002EDC207FDB0, 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 0x000002EDC207FF70, 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 0x000002EDC2080590, 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 0x000002EDC3BCF090, 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 0x000002EDC3B6C380, 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 0x000002EDC204C7B0, 8 bytes long.
Data: < :Âí > 00 00 3A C2 ED 02 00 00
{3834565} normal block at 0x000002EDC3B6C2D0, 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 0x000002EDC204C710, 8 bytes long.
Data: <ðè Âí > F0 E8 12 C2 ED 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002EDC2040420, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002EDC203F9F0, 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 0x000002EDC2056FD0, 16 bytes long.
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{293} normal block at 0x000002EDC2056F80, 16 bytes long.
Data: <ðt Âí > F0 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002EDC204FED0, 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 0x000002EDC2056F30, 16 bytes long.
Data: <Èt Âí > C8 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002EDC20560D0, 16 bytes long.
Data: < t Âí > A0 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002EDC2056B20, 16 bytes long.
Data: <xt Âí > 78 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002EDC2056940, 16 bytes long.
Data: <Pt Âí > 50 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002EDC204F400, 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 0x000002EDC2056EE0, 16 bytes long.
Data: <8^ Âí > 38 5E 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002EDC204FCF0, 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 0x000002EDC20566C0, 16 bytes long.
Data: < ^ Âí > 10 5E 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002EDC2056670, 16 bytes long.
Data: <è] Âí > E8 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002EDC2056E90, 16 bytes long.
Data: <À] Âí > C0 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002EDC2056300, 16 bytes long.
Data: < ] Âí > 98 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002EDC2056080, 16 bytes long.
Data: <p] Âí > 70 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002EDC2056DF0, 16 bytes long.
Data: <H] Âí > 48 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002EDC2050B90, 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 0x000002EDC2056AD0, 16 bytes long.
Data: < ] Âí > 20 5D 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002EDC2055D20, 320 bytes long.
Data: <Ðj Âí Âí > D0 6A 05 C2 ED 02 00 00 90 0B 05 C2 ED 02 00 00
{274} normal block at 0x000002EDC20562B0, 16 bytes long.
Data: <0t Âí > 30 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002EDC2056760, 16 bytes long.
Data: < t Âí > 08 74 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002EDC204FE70, 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 0x000002EDC2056C10, 16 bytes long.
Data: <às Âí > E0 73 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002EDC2050470, 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 0x000002EDC2056E40, 16 bytes long.
Data: <(s Âí > 28 73 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002EDC2056260, 16 bytes long.
Data: < s Âí > 00 73 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002EDC2056490, 16 bytes long.
Data: <Ør Âí > D8 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002EDC2056530, 16 bytes long.
Data: <°r Âí > B0 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002EDC2056580, 16 bytes long.
Data: < r Âí > 88 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002EDC2056DA0, 16 bytes long.
Data: <`r Âí > 60 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002EDC2056620, 16 bytes long.
Data: <Ðñ Âí > D0 F1 04 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002EDC204F1D0, 40 bytes long.
Data: < f Âí ð¼Ãí > 20 66 05 C2 ED 02 00 00 90 F0 BC C3 ED 02 00 00
{260} normal block at 0x000002EDC2056990, 16 bytes long.
Data: <@r Âí > 40 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002EDC20564E0, 16 bytes long.
Data: < r Âí > 18 72 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002EDC20509B0, 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 0x000002EDC20567B0, 16 bytes long.
Data: <ðq Âí > F0 71 05 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002EDC20571F0, 992 bytes long.
Data: <°g Âí ° Âí > B0 67 05 C2 ED 02 00 00 B0 09 05 C2 ED 02 00 00
{92} normal block at 0x000002EDC2050890, 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 0x000002EDC204C440, 16 bytes long.
Data: < ó Âí > 90 F3 04 C2 ED 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002EDC204F390, 40 bytes long.
Data: <@Ä Âí Âí > 40 C4 04 C2 ED 02 00 00 90 08 05 C2 ED 02 00 00
{69} normal block at 0x000002EDC204D200, 16 bytes long.
Data: < êšÞ÷ > 80 EA 9A DE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002EDC204D390, 16 bytes long.
Data: <@éšÞ÷ > 40 E9 9A DE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002EDC204CE90, 16 bytes long.
Data: <øW—Þ÷ > F8 57 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002EDC204CCB0, 16 bytes long.
Data: <ØW—Þ÷ > D8 57 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002EDC204C8F0, 16 bytes long.
Data: <P —Þ÷ > 50 04 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002EDC204D160, 16 bytes long.
Data: <0 —Þ÷ > 30 04 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002EDC204D250, 16 bytes long.
Data: <à —Þ÷ > E0 02 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002EDC204C8A0, 16 bytes long.
Data: < —Þ÷ > 10 04 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002EDC204D110, 16 bytes long.
Data: <p —Þ÷ > 70 04 97 DE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002EDC204C990, 16 bytes long.
Data: < À•Þ÷ > 18 C0 95 DE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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