Task 38606638
| Name | MCL1_A26_A35_r0_1-QUICO_ATM_OpenFF_MCL1-0-6-RND9664_0 |
| Workunit | 31560410 |
| Created | 14 Apr 2026, 8:12:14 UTC |
| Sent | 14 Apr 2026, 8:14:35 UTC |
| Report deadline | 19 Apr 2026, 8:14:35 UTC |
| Received | 14 Apr 2026, 8:20:55 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 25 sec |
| CPU time | 35 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 | 215.38 MB |
| Peak swap size | 5.85 GB |
| Peak disk usage | 2.76 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>
10:17:48 (16304): wrapper (7.9.26016): starting
10:17:48 (16304): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A35_0.pdb
QB_A26_A35_0.xml
QB_A26_A35.inpcrd
QB_A26_A35_input.yaml
QB_A26_A35.pdb
QB_A26_A35.prmtop
QB_A26_A35_sys.xml
run.bat
run.sh
10:17:53 (16304): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:17:53 (16304): 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"
10:18:54 (16304): C:/Windows/system32/cmd.exe exited; CPU time 35.875000
10:18:54 (16304): app exit status: 0x16
10:18:54 (16304): 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: 911711 bytes.
Dumping objects ->
{3835281} normal block at 0x00000189A03AF4F0, 64 bytes long.
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{3835270} normal block at 0x00000189A0485150, 48 bytes long.
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{3835259} normal block at 0x00000189A0484D60, 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 0x00000189A04858C0, 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 0x00000189A0484DD0, 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 0x00000189A03AEAF0, 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 0x00000189A034A810, 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 0x000001899E6CD0B0, 8 bytes long.
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{3834565} normal block at 0x00000189A034A970, 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 0x000001899E6CD010, 8 bytes long.
Data: <àÖkž‰ > E0 D6 6B 9E 89 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001899E6C1390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001899E6C2040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <`{mž‰ > 60 7B 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001899E6D6D50, 16 bytes long.
Data: <8{mž‰ > 38 7B 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001899E6D6B20, 16 bytes long.
Data: < {mž‰ > 10 7B 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001899E6D5490, 48 bytes long.
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{286} normal block at 0x000001899E6D7660, 16 bytes long.
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{285} normal block at 0x000001899E6D1590, 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 0x000001899E6D7390, 16 bytes long.
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{282} normal block at 0x000001899E6D6C10, 16 bytes long.
Data: <È lž‰ > C8 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001899E6D74D0, 16 bytes long.
Data: <  lž‰ > A0 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001899E6D7200, 16 bytes long.
Data: <x lž‰ > 78 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001899E6D7430, 16 bytes long.
Data: <P lž‰ > 50 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001899E6D70C0, 16 bytes long.
Data: <( lž‰ > 28 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001899E6D1290, 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 0x000001899E6D75C0, 16 bytes long.
Data: < lž‰ > 00 06 6C 9E 89 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001899E6C0600, 320 bytes long.
Data: <Àumž‰ mž‰ > C0 75 6D 9E 89 01 00 00 90 12 6D 9E 89 01 00 00
{274} normal block at 0x000001899E6D6CB0, 16 bytes long.
Data: <ðzmž‰ > F0 7A 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001899E6D6FD0, 16 bytes long.
Data: <Èzmž‰ > C8 7A 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001899E6D17D0, 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 0x000001899E6D6F80, 16 bytes long.
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{270} normal block at 0x000001899E6D0E70, 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 0x000001899E6D7840, 16 bytes long.
Data: <èymž‰ > E8 79 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001899E6D71B0, 16 bytes long.
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{267} normal block at 0x000001899E6D6E90, 16 bytes long.
Data: < ymž‰ > 98 79 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001899E6D7520, 16 bytes long.
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{262} normal block at 0x000001899E6D6AD0, 16 bytes long.
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{261} normal block at 0x000001899E6D5180, 40 bytes long.
Data: <Ðjmž‰ ðê: ‰ > D0 6A 6D 9E 89 01 00 00 F0 EA 3A A0 89 01 00 00
{260} normal block at 0x000001899E6D6BC0, 16 bytes long.
Data: < ymž‰ > 00 79 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001899E6D7340, 16 bytes long.
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{258} normal block at 0x000001899E6D1650, 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 0x000001899E6D6D00, 16 bytes long.
Data: <°xmž‰ > B0 78 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001899E6D78B0, 992 bytes long.
Data: < mmž‰ P mž‰ > 00 6D 6D 9E 89 01 00 00 50 16 6D 9E 89 01 00 00
{92} normal block at 0x000001899E6D1110, 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 0x000001899E6CD420, 16 bytes long.
Data: <ÀVmž‰ > C0 56 6D 9E 89 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001899E6D56C0, 40 bytes long.
Data: < Ôlž‰ mž‰ > 20 D4 6C 9E 89 01 00 00 10 11 6D 9E 89 01 00 00
{69} normal block at 0x000001899E6CD6A0, 16 bytes long.
Data: < ê|Å÷ > 80 EA 7C C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001899E6CD060, 16 bytes long.
Data: <@é|Å÷ > 40 E9 7C C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001899E6CDD80, 16 bytes long.
Data: <øWyÅ÷ > F8 57 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001899E6CD830, 16 bytes long.
Data: <ØWyÅ÷ > D8 57 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001899E6CD790, 16 bytes long.
Data: <P yÅ÷ > 50 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001899E6CD650, 16 bytes long.
Data: <0 yÅ÷ > 30 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001899E6CD380, 16 bytes long.
Data: <à yÅ÷ > E0 02 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001899E6CDB00, 16 bytes long.
Data: < yÅ÷ > 10 04 79 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001899E6CDE70, 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 0x000001899E6CD3D0, 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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