Task 38601400
| Name | BACE_A32_A14_r0_5-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND5814_2 |
| Workunit | 31552904 |
| Created | 9 Apr 2026, 13:14:35 UTC |
| Sent | 9 Apr 2026, 13:14:36 UTC |
| Report deadline | 14 Apr 2026, 13:14:36 UTC |
| Received | 9 Apr 2026, 13:18:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643084 |
| Run time | 1 min 28 sec |
| CPU time | 12 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,744.88 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 545.91 MB |
| Peak swap size | 6.18 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:16:35 (12352): wrapper (7.9.26016): starting
15:16:35 (12352): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A14_0.pdb
QB_A32_A14_0.xml
QB_A32_A14.inpcrd
QB_A32_A14_input.yaml
QB_A32_A14.pdb
QB_A32_A14.prmtop
QB_A32_A14_sys.xml
run.bat
run.sh
15:16:36 (12352): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:16:36 (12352): 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"
15:17:02 (12352): C:/Windows/system32/cmd.exe exited; CPU time 12.453125
15:17:02 (12352): app exit status: 0x16
15:17:02 (12352): 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: 545427 bytes.
Dumping objects ->
{3835280} normal block at 0x000001B610B8D2D0, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835269} normal block at 0x000001B60EF7B0A0, 48 bytes long.
Data: <HOME=E:\Programm> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835258} normal block at 0x000001B60EF7B730, 48 bytes long.
Data: <TMP=E:\Programme> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 65
{3835247} normal block at 0x000001B60EF7B7A0, 48 bytes long.
Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835236} normal block at 0x000001B60EF7AD20, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x000001B610B8CE50, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835194} normal block at 0x000001B610BEF090, 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) : {3835191} normal block at 0x000001B60EF4D210, 8 bytes long.
Data: < 1 ¶ > 00 00 31 0F B6 01 00 00
{3834565} normal block at 0x000001B610BEE7A0, 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 0x000001B60EF4DDF0, 8 bytes long.
Data: <à×ó ¶ > E0 D7 F3 0E B6 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B60EF410D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B60EF41D50, 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 0x000001B60EF55640, 16 bytes long.
Data: < gõ ¶ > 98 67 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B60EF56360, 16 bytes long.
Data: <pgõ ¶ > 70 67 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B60EF516A0, 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 0x000001B60EF55A50, 16 bytes long.
Data: <Hgõ ¶ > 48 67 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B60EF56400, 16 bytes long.
Data: < gõ ¶ > 20 67 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B60EF56310, 16 bytes long.
Data: <øfõ ¶ > F8 66 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B60EF55870, 16 bytes long.
Data: <Ðfõ ¶ > D0 66 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B60EF50440, 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 0x000001B60EF56220, 16 bytes long.
Data: <8óó ¶ > 38 F3 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B60EF513A0, 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 0x000001B60EF56180, 16 bytes long.
Data: < óó ¶ > 10 F3 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B60EF55910, 16 bytes long.
Data: <èòó ¶ > E8 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B60EF55550, 16 bytes long.
Data: <Àòó ¶ > C0 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B60EF55EB0, 16 bytes long.
Data: < òó ¶ > 98 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B60EF56130, 16 bytes long.
Data: <pòó ¶ > 70 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B60EF560E0, 16 bytes long.
Data: <Hòó ¶ > 48 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B60EF51A60, 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 0x000001B60EF558C0, 16 bytes long.
Data: < òó ¶ > 20 F2 F3 0E B6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B60EF3F220, 320 bytes long.
Data: <ÀXõ ¶ ` õ ¶ > C0 58 F5 0E B6 01 00 00 60 1A F5 0E B6 01 00 00
{274} normal block at 0x000001B60EF55730, 16 bytes long.
Data: <°fõ ¶ > B0 66 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B60EF563B0, 16 bytes long.
Data: < fõ ¶ > 88 66 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B60EF51100, 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 0x000001B60EF56090, 16 bytes long.
Data: <`fõ ¶ > 60 66 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B60EF51A00, 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 0x000001B60EF555F0, 16 bytes long.
Data: <¨eõ ¶ > A8 65 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B60EF55A00, 16 bytes long.
Data: < eõ ¶ > 80 65 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B60EF55E60, 16 bytes long.
Data: <Xeõ ¶ > 58 65 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B60EF55FF0, 16 bytes long.
Data: <0eõ ¶ > 30 65 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B60EF55E10, 16 bytes long.
Data: < eõ ¶ > 08 65 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B60EF55FA0, 16 bytes long.
Data: <àdõ ¶ > E0 64 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B60EF559B0, 16 bytes long.
Data: <à õ ¶ > E0 06 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B60EF506E0, 40 bytes long.
Data: <°Yõ ¶ Pθ ¶ > B0 59 F5 0E B6 01 00 00 50 CE B8 10 B6 01 00 00
{260} normal block at 0x000001B60EF55AA0, 16 bytes long.
Data: <Àdõ ¶ > C0 64 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B60EF55C30, 16 bytes long.
Data: < dõ ¶ > 98 64 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B60EF50DA0, 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 0x000001B60EF562C0, 16 bytes long.
Data: <pdõ ¶ > 70 64 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B60EF56470, 992 bytes long.
Data: <Àbõ ¶   õ ¶ > C0 62 F5 0E B6 01 00 00 A0 0D F5 0E B6 01 00 00
{92} normal block at 0x000001B60EF51820, 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 0x000001B60EF4E070, 16 bytes long.
Data: <0 õ ¶ > 30 08 F5 0E B6 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B60EF50830, 40 bytes long.
Data: <pàô ¶ õ ¶ > 70 E0 F4 0E B6 01 00 00 20 18 F5 0E B6 01 00 00
{69} normal block at 0x000001B60EF4E020, 16 bytes long.
Data: < êM¤ö > 80 EA 4D A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B60EF4DD50, 16 bytes long.
Data: <@éM¤ö > 40 E9 4D A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B60EF4D990, 16 bytes long.
Data: <øWJ¤ö > F8 57 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B60EF4DD00, 16 bytes long.
Data: <ØWJ¤ö > D8 57 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B60EF4DC60, 16 bytes long.
Data: <P J¤ö > 50 04 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B60EF4D9E0, 16 bytes long.
Data: <0 J¤ö > 30 04 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B60EF4D4E0, 16 bytes long.
Data: <à J¤ö > E0 02 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B60EF4D580, 16 bytes long.
Data: < J¤ö > 10 04 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B60EF4D6C0, 16 bytes long.
Data: <p J¤ö > 70 04 4A A4 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B60EF4D530, 16 bytes long.
Data: < ÀH¤ö > 18 C0 48 A4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra