Task 38600603
| Name | BACE_A05_A36_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-3-6-RND3230_1 |
| Workunit | 31555285 |
| Created | 9 Apr 2026, 5:07:22 UTC |
| Sent | 9 Apr 2026, 5:07:26 UTC |
| Report deadline | 14 Apr 2026, 5:07:26 UTC |
| Received | 9 Apr 2026, 5:10:34 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 30 sec |
| CPU time | 18 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 | 317.95 MB |
| Peak swap size | 5.95 GB |
| Peak disk usage | 1.48 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>
07:08:25 (1112): wrapper (7.9.26016): starting
07:08:25 (1112): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A36_0.pdb
QB_A05_A36_0.xml
QB_A05_A36.inpcrd
QB_A05_A36_input.yaml
QB_A05_A36.pdb
QB_A05_A36.prmtop
QB_A05_A36_sys.xml
run.bat
run.sh
07:08:26 (1112): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:08:26 (1112): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\Programmes\BOINC\Données\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\Programmes\BOINC\Données\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\Programmes\BOINC\Données\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\Programmes\BOINC\Données\slots\0\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\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
07:09:04 (1112): C:/Windows/system32/cmd.exe exited; CPU time 18.546875
07:09:04 (1112): app exit status: 0x16
07:09:04 (1112): 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: 666143 bytes.
Dumping objects ->
{3835274} normal block at 0x000001FEFCBBD7D0, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835263} normal block at 0x000001FEFAEDB730, 48 bytes long.
Data: <HOME=E:\Programm> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835252} normal block at 0x000001FEFAEDAD90, 48 bytes long.
Data: <TMP=E:\Programme> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D 65
{3835241} normal block at 0x000001FEFAEDABD0, 48 bytes long.
Data: <TEMP=E:\Programm> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835230} normal block at 0x000001FEFAEDAFC0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835199} normal block at 0x000001FEFCBBD850, 64 bytes long.
Data: <PATH=E:\Programm> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 6D
{3835188} normal block at 0x000001FEFCC1EF30, 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) : {3835185} normal block at 0x000001FEFAEADDF0, 8 bytes long.
Data: < Mûþ > 00 00 4D FB FE 01 00 00
{3834562} normal block at 0x000001FEFCC1E430, 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 0x000001FEFAEADEE0, 8 bytes long.
Data: <à×éúþ > E0 D7 E9 FA FE 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FEFAEA0950, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FEFAEA1D50, 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 0x000001FEFAEB5B90, 16 bytes long.
Data: < gëúþ > 98 67 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FEFAEB6180, 16 bytes long.
Data: <pgëúþ > 70 67 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FEFAEB1280, 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 0x000001FEFAEB5960, 16 bytes long.
Data: <Hgëúþ > 48 67 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FEFAEB62C0, 16 bytes long.
Data: < gëúþ > 20 67 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FEFAEB6090, 16 bytes long.
Data: <øfëúþ > F8 66 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FEFAEB58C0, 16 bytes long.
Data: <Ðfëúþ > D0 66 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FEFAEB06E0, 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 0x000001FEFAEB5F00, 16 bytes long.
Data: <8óéúþ > 38 F3 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FEFAEB11C0, 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 0x000001FEFAEB6270, 16 bytes long.
Data: < óéúþ > 10 F3 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FEFAEB63B0, 16 bytes long.
Data: <èòéúþ > E8 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FEFAEB5EB0, 16 bytes long.
Data: <Àòéúþ > C0 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FEFAEB5640, 16 bytes long.
Data: < òéúþ > 98 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FEFAEB6130, 16 bytes long.
Data: <pòéúþ > 70 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FEFAEB5DC0, 16 bytes long.
Data: <Hòéúþ > 48 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FEFAEB0F20, 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 0x000001FEFAEB5820, 16 bytes long.
Data: < òéúþ > 20 F2 E9 FA FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FEFAE9F220, 320 bytes long.
Data: < Xëúþ ëúþ > 20 58 EB FA FE 01 00 00 20 0F EB FA FE 01 00 00
{274} normal block at 0x000001FEFAEB5E60, 16 bytes long.
Data: <°fëúþ > B0 66 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FEFAEB55F0, 16 bytes long.
Data: < fëúþ > 88 66 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FEFAEB0CE0, 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 0x000001FEFAEB5550, 16 bytes long.
Data: <`fëúþ > 60 66 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FEFAEB14C0, 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 0x000001FEFAEB61D0, 16 bytes long.
Data: <¨eëúþ > A8 65 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FEFAEB5FF0, 16 bytes long.
Data: < eëúþ > 80 65 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FEFAEB5AF0, 16 bytes long.
Data: <Xeëúþ > 58 65 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FEFAEB6220, 16 bytes long.
Data: <0eëúþ > 30 65 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FEFAEB54B0, 16 bytes long.
Data: < eëúþ > 08 65 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FEFAEB5910, 16 bytes long.
Data: <àdëúþ > E0 64 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FEFAEB6310, 16 bytes long.
Data: <Ð ëúþ > D0 03 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FEFAEB03D0, 40 bytes long.
Data: < cëúþ PØ»üþ > 10 63 EB FA FE 01 00 00 50 D8 BB FC FE 01 00 00
{260} normal block at 0x000001FEFAEB5E10, 16 bytes long.
Data: <Àdëúþ > C0 64 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FEFAEB5500, 16 bytes long.
Data: < dëúþ > 98 64 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FEFAEB19A0, 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 0x000001FEFAEB5FA0, 16 bytes long.
Data: <pdëúþ > 70 64 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FEFAEB6470, 992 bytes long.
Data: < _ëúþ   ëúþ > A0 5F EB FA FE 01 00 00 A0 19 EB FA FE 01 00 00
{92} normal block at 0x000001FEFAEB15E0, 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 0x000001FEFAEAD300, 16 bytes long.
Data: < ëúþ > 20 05 EB FA FE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FEFAEB0520, 40 bytes long.
Data: < Óêúþ à ëúþ > 00 D3 EA FA FE 01 00 00 E0 15 EB FA FE 01 00 00
{69} normal block at 0x000001FEFAEAD260, 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 0x000001FEFAEAD850, 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 0x000001FEFAEAD210, 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 0x000001FEFAEAD3A0, 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 0x000001FEFAEADD50, 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 0x000001FEFAEADD00, 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 0x000001FEFAEAD1C0, 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 0x000001FEFAEADC60, 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 0x000001FEFAEAD170, 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 0x000001FEFAEAD760, 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>
]]>
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