Task 38611638
| Name | MCL1_A02_A14_r0_5-QUICO_ATM_OpenFF_MCL1-4-6-RND0718_1 |
| Workunit | 31563749 |
| Created | 15 Apr 2026, 21:46:00 UTC |
| Sent | 15 Apr 2026, 21:46:04 UTC |
| Report deadline | 20 Apr 2026, 21:46:04 UTC |
| Received | 15 Apr 2026, 21:51:54 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 25 sec |
| CPU time | 1 min 32 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 | 226.60 MB |
| Peak swap size | 5.85 GB |
| Peak disk usage | 4.04 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>
23:47:38 (20772): wrapper (7.9.26016): starting
23:47:38 (20772): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A14_0.pdb
QB_A02_A14_0.xml
QB_A02_A14.inpcrd
QB_A02_A14_input.yaml
QB_A02_A14.pdb
QB_A02_A14.prmtop
QB_A02_A14_sys.xml
run.bat
run.sh
23:47:44 (20772): Library/usr/bin/tar.exe exited; CPU time 0.046875
23:47:44 (20772): 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"
23:50:38 (20772): C:/Windows/system32/cmd.exe exited; CPU time 91.984375
23:50:38 (20772): app exit status: 0x16
23:50:38 (20772): 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: 2610211 bytes.
Dumping objects ->
{3835281} normal block at 0x00000170DC85F470, 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 0x00000170DACEC300, 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 0x00000170DACEB7A0, 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 0x00000170DACEC370, 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 0x00000170DACEC060, 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 0x00000170DC85EA70, 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 0x00000170DC7FAA20, 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 0x00000170DACBD3D0, 8 bytes long.
Data: < ÈÚp > 00 00 C8 DA 70 01 00 00
{3834565} normal block at 0x00000170DC7FAC30, 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 0x00000170DACBDCE0, 8 bytes long.
Data: <àÖÊÚp > E0 D6 CA DA 70 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000170DACB0AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000170DACB2160, 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 0x00000170DACC7480, 16 bytes long.
Data: <Ø{ÌÚp > D8 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000170DACC69E0, 16 bytes long.
Data: <°{ÌÚp > B0 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000170DACC0DB0, 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 0x00000170DACC72F0, 16 bytes long.
Data: < {ÌÚp > 88 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000170DACC76B0, 16 bytes long.
Data: <`{ÌÚp > 60 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000170DACC7570, 16 bytes long.
Data: <8{ÌÚp > 38 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000170DACC6EE0, 16 bytes long.
Data: < {ÌÚp > 10 7B CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000170DACC53B0, 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 0x00000170DACC6990, 16 bytes long.
Data: < ËÚp > 18 07 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000170DACC0C90, 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 0x00000170DACC7200, 16 bytes long.
Data: <ð ËÚp > F0 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000170DACC6B70, 16 bytes long.
Data: <È ËÚp > C8 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000170DACC6E90, 16 bytes long.
Data: <  ËÚp > A0 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000170DACC6C60, 16 bytes long.
Data: <x ËÚp > 78 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000170DACC7520, 16 bytes long.
Data: <P ËÚp > 50 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000170DACC74D0, 16 bytes long.
Data: <( ËÚp > 28 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000170DACC1350, 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 0x00000170DACC68F0, 16 bytes long.
Data: < ËÚp > 00 06 CB DA 70 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000170DACB0600, 320 bytes long.
Data: <ðhÌÚp P ÌÚp > F0 68 CC DA 70 01 00 00 50 13 CC DA 70 01 00 00
{274} normal block at 0x00000170DACC6D50, 16 bytes long.
Data: <ðzÌÚp > F0 7A CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000170DACC7250, 16 bytes long.
Data: <ÈzÌÚp > C8 7A CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000170DACC1890, 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 0x00000170DACC6DF0, 16 bytes long.
Data: < zÌÚp > A0 7A CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000170DACC0ED0, 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 0x00000170DACC6D00, 16 bytes long.
Data: <èyÌÚp > E8 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000170DACC7070, 16 bytes long.
Data: <ÀyÌÚp > C0 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000170DACC6CB0, 16 bytes long.
Data: < yÌÚp > 98 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000170DACC7660, 16 bytes long.
Data: <pyÌÚp > 70 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000170DACC70C0, 16 bytes long.
Data: <HyÌÚp > 48 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000170DACC7110, 16 bytes long.
Data: < yÌÚp > 20 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000170DACC6BC0, 16 bytes long.
Data: <pUÌÚp > 70 55 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000170DACC5570, 40 bytes long.
Data: <ÀkÌÚp pê…Üp > C0 6B CC DA 70 01 00 00 70 EA 85 DC 70 01 00 00
{260} normal block at 0x00000170DACC7610, 16 bytes long.
Data: < yÌÚp > 00 79 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000170DACC7160, 16 bytes long.
Data: <ØxÌÚp > D8 78 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000170DACC0BD0, 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 0x00000170DACC72A0, 16 bytes long.
Data: <°xÌÚp > B0 78 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000170DACC78B0, 992 bytes long.
Data: < rÌÚp Ð ÌÚp > A0 72 CC DA 70 01 00 00 D0 0B CC DA 70 01 00 00
{92} normal block at 0x00000170DACC1770, 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 0x00000170DACBDC90, 16 bytes long.
Data: < PÌÚp > A0 50 CC DA 70 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000170DACC50A0, 40 bytes long.
Data: < ÜËÚp p ÌÚp > 90 DC CB DA 70 01 00 00 70 17 CC DA 70 01 00 00
{69} normal block at 0x00000170DACBD2E0, 16 bytes long.
Data: < êÒZ÷ > 80 EA D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000170DACBDC40, 16 bytes long.
Data: <@éÒZ÷ > 40 E9 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000170DACBD240, 16 bytes long.
Data: <øWÏZ÷ > F8 57 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000170DACBD330, 16 bytes long.
Data: <ØWÏZ÷ > D8 57 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000170DACBD1F0, 16 bytes long.
Data: <P ÏZ÷ > 50 04 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000170DACBD830, 16 bytes long.
Data: <0 ÏZ÷ > 30 04 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000170DACBD9C0, 16 bytes long.
Data: <à ÏZ÷ > E0 02 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000170DACBDBF0, 16 bytes long.
Data: < ÏZ÷ > 10 04 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000170DACBD1A0, 16 bytes long.
Data: <p ÏZ÷ > 70 04 CF 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000170DACBD150, 16 bytes long.
Data: < ÀÍZ÷ > 18 C0 CD 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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