Task 38610587
| Name | MCL1_A01_A24_r0_1-QUICO_ATM_OpenFF_MCL1-2-6-RND2980_1 |
| Workunit | 31563248 |
| Created | 15 Apr 2026, 11:23:29 UTC |
| Sent | 15 Apr 2026, 11:23:54 UTC |
| Report deadline | 20 Apr 2026, 11:23:54 UTC |
| Received | 15 Apr 2026, 11:32:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 3 min 40 sec |
| CPU time | 1 min 24 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 | 243.50 MB |
| Peak swap size | 5.87 GB |
| Peak disk usage | 2.05 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>
13:27:33 (18736): wrapper (7.9.26016): starting
13:27:33 (18736): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A24_0.pdb
QB_A01_A24_0.xml
QB_A01_A24.inpcrd
QB_A01_A24_input.yaml
QB_A01_A24.pdb
QB_A01_A24.prmtop
QB_A01_A24_sys.xml
run.bat
run.sh
13:27:37 (18736): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:27:37 (18736): 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"
13:30:03 (18736): C:/Windows/system32/cmd.exe exited; CPU time 84.718750
13:30:03 (18736): app exit status: 0x16
13:30:03 (18736): 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: 1918343 bytes.
Dumping objects ->
{3835281} normal block at 0x000002A9BC7628F0, 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 0x000002A9BC7B1370, 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 0x000002A9BC7B0D50, 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 0x000002A9BC7B0C70, 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 0x000002A9BC7B1B50, 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 0x000002A9BC761BF0, 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 0x000002A9BC83E0C0, 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 0x000002A9BAB8D3B0, 8 bytes long.
Data: < ±º© > 00 00 B1 BA A9 02 00 00
{3834565} normal block at 0x000002A9BC83EBC0, 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 0x000002A9BAB8CEB0, 8 bytes long.
Data: <àÖ·º© > E0 D6 B7 BA A9 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A9BAB81640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A9BAB7F160, 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 0x000002A9BAB96380, 16 bytes long.
Data: < g¹º© > 18 67 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A9BAB960B0, 16 bytes long.
Data: <ðf¹º© > F0 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A9BAB91390, 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 0x000002A9BAB95A70, 16 bytes long.
Data: <Èf¹º© > C8 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A9BAB96330, 16 bytes long.
Data: < f¹º© > A0 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A9BAB95B60, 16 bytes long.
Data: <xf¹º© > 78 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A9BAB95ED0, 16 bytes long.
Data: <Pf¹º© > 50 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A9BAB90070, 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 0x000002A9BAB95C00, 16 bytes long.
Data: <È ¸º© > C8 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A9BAB917B0, 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 0x000002A9BAB957A0, 16 bytes long.
Data: <  ¸º© > A0 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A9BAB962E0, 16 bytes long.
Data: <x ¸º© > 78 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A9BAB959D0, 16 bytes long.
Data: <P ¸º© > 50 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A9BAB95750, 16 bytes long.
Data: <( ¸º© > 28 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A9BAB95700, 16 bytes long.
Data: < ¸º© > 00 13 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A9BAB96290, 16 bytes long.
Data: <Ø ¸º© > D8 12 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A9BAB91210, 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 0x000002A9BAB958E0, 16 bytes long.
Data: <° ¸º© > B0 12 B8 BA A9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A9BAB812B0, 320 bytes long.
Data: <àX¹º© ¹º© > E0 58 B9 BA A9 02 00 00 10 12 B9 BA A9 02 00 00
{274} normal block at 0x000002A9BAB95980, 16 bytes long.
Data: <0f¹º© > 30 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A9BAB95BB0, 16 bytes long.
Data: < f¹º© > 08 66 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A9BAB91030, 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 0x000002A9BAB95E80, 16 bytes long.
Data: <àe¹º© > E0 65 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A9BAB90FD0, 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 0x000002A9BAB95A20, 16 bytes long.
Data: <(e¹º© > 28 65 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A9BAB96240, 16 bytes long.
Data: < e¹º© > 00 65 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A9BAB95DE0, 16 bytes long.
Data: <Ød¹º© > D8 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A9BAB961F0, 16 bytes long.
Data: <°d¹º© > B0 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A9BAB95D90, 16 bytes long.
Data: < d¹º© > 88 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A9BAB957F0, 16 bytes long.
Data: <`d¹º© > 60 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A9BAB95F70, 16 bytes long.
Data: < ¹º© > 00 00 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A9BAB90000, 40 bytes long.
Data: <p_¹º© ð v¼© > 70 5F B9 BA A9 02 00 00 F0 1B 76 BC A9 02 00 00
{260} normal block at 0x000002A9BAB961A0, 16 bytes long.
Data: <@d¹º© > 40 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A9BAB95D40, 16 bytes long.
Data: < d¹º© > 18 64 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A9BAB90F10, 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 0x000002A9BAB95890, 16 bytes long.
Data: <ðc¹º© > F0 63 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A9BAB963F0, 992 bytes long.
Data: < X¹º© ¹º© > 90 58 B9 BA A9 02 00 00 10 0F B9 BA A9 02 00 00
{92} normal block at 0x000002A9BAB90E50, 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 0x000002A9BAB8D450, 16 bytes long.
Data: <Ð ¹º© > D0 04 B9 BA A9 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002A9BAB904D0, 40 bytes long.
Data: <PÔ¸º© P ¹º© > 50 D4 B8 BA A9 02 00 00 50 0E B9 BA A9 02 00 00
{69} normal block at 0x000002A9BAB8D590, 16 bytes long.
Data: < ê#›ö > 80 EA 23 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A9BAB8D860, 16 bytes long.
Data: <@é#›ö > 40 E9 23 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A9BAB8D130, 16 bytes long.
Data: <øW ›ö > F8 57 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A9BAB8D400, 16 bytes long.
Data: <ØW ›ö > D8 57 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A9BAB8DBD0, 16 bytes long.
Data: <P ›ö > 50 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A9BAB8D7C0, 16 bytes long.
Data: <0 ›ö > 30 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A9BAB8DB80, 16 bytes long.
Data: <à ›ö > E0 02 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A9BAB8D770, 16 bytes long.
Data: < ›ö > 10 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A9BAB8D1D0, 16 bytes long.
Data: <p ›ö > 70 04 20 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A9BAB8DA40, 16 bytes long.
Data: < À ›ö > 18 C0 1E 9B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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