Task 38617618
| Name | p38_2_A12_A33_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND6408_0 |
| Workunit | 31569248 |
| Created | 18 Apr 2026, 5:54:56 UTC |
| Sent | 18 Apr 2026, 5:55:14 UTC |
| Report deadline | 23 Apr 2026, 5:55:14 UTC |
| Received | 18 Apr 2026, 6:05:38 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652138 |
| Run time | 2 min 3 sec |
| CPU time | 36 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,071.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 352.22 MB |
| Peak swap size | 10.50 GB |
| Peak disk usage | 1.49 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:02:27 (2672): wrapper (7.9.26016): starting
15:02:27 (2672): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A33_0.pdb
QB_A12_A33_0.xml
QB_A12_A33.inpcrd
QB_A12_A33_input.yaml
QB_A12_A33.pdb
QB_A12_A33.prmtop
QB_A12_A33_sys.xml
run.bat
run.sh
15:02:29 (2672): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:02:29 (2672): 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 'F:\BOINC\BOINCƒf[ƒ^\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 'F:\BOINC\BOINCƒf[ƒ^\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 "F:\BOINC\BOINCƒf[ƒ^\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\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 "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "F:\BOINC\BOINCƒf[ƒ^\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\BOINCƒf[ƒ^\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"
15:03:31 (2672): C:/Windows/system32/cmd.exe exited; CPU time 36.921875
15:03:31 (2672): app exit status: 0x16
15:03:31 (2672): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 1057703 bytes.
Dumping objects ->
{3835376} normal block at 0x000001BAE6661170, 48 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835365} normal block at 0x000001BAE6660CA0, 48 bytes long.
Data: <HOME=F:\BOINC\BO> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835354} normal block at 0x000001BAE6660BC0, 48 bytes long.
Data: <TMP=F:\BOINC\BOI> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F 49
{3835343} normal block at 0x000001BAE6660B50, 48 bytes long.
Data: <TEMP=F:\BOINC\BO> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
{3835332} normal block at 0x000001BAE66608B0, 48 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835301} normal block at 0x000001BAE67AA160, 64 bytes long.
Data: <PATH=F:\BOINC\BO> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 42 4F
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x000001BAE456DFB0, 8 bytes long.
Data: < ¨ º > 00 00 A8 E4 BA 01 00 00
{3834045} normal block at 0x000001BAE456D6F0, 8 bytes long.
Data: <0tp º > 30 74 70 E6 BA 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BAE4566F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BAE4565F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001BAE45794F0, 16 bytes long.
Data: <È£W º > C8 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BAE4579630, 16 bytes long.
Data: < £W º > A0 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BAE45759D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001BAE4579180, 16 bytes long.
Data: <x£W º > 78 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BAE4579680, 16 bytes long.
Data: <P£W º > 50 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BAE45795E0, 16 bytes long.
Data: <(£W º > 28 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BAE4579BD0, 16 bytes long.
Data: < £W º > 00 A3 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BAE4573910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001BAE4579A90, 16 bytes long.
Data: <xMV º > 78 4D 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BAE4575010, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001BAE4579950, 16 bytes long.
Data: <PMV º > 50 4D 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BAE4579810, 16 bytes long.
Data: <(MV º > 28 4D 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BAE4579DB0, 16 bytes long.
Data: < MV º > 00 4D 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BAE4579450, 16 bytes long.
Data: <ØLV º > D8 4C 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BAE4579400, 16 bytes long.
Data: <°LV º > B0 4C 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BAE4579900, 16 bytes long.
Data: < LV º > 88 4C 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BAE4575F10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001BAE45792C0, 16 bytes long.
Data: <`LV º > 60 4C 56 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BAE4564C60, 320 bytes long.
Data: <À W º _W º > C0 92 57 E4 BA 01 00 00 10 5F 57 E4 BA 01 00 00
{273} normal block at 0x000001BAE4579360, 16 bytes long.
Data: < ¢W º > E0 A2 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BAE45794A0, 16 bytes long.
Data: <¸¢W º > B8 A2 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BAE4575970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001BAE4579F90, 16 bytes long.
Data: < ¢W º > 90 A2 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BAE4575CD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001BAE4579130, 16 bytes long.
Data: <Ø¡W º > D8 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BAE4579AE0, 16 bytes long.
Data: <°¡W º > B0 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BAE4579A40, 16 bytes long.
Data: < ¡W º > 88 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BAE4579270, 16 bytes long.
Data: <`¡W º > 60 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BAE45799F0, 16 bytes long.
Data: <8¡W º > 38 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BAE4579EA0, 16 bytes long.
Data: < ¡W º > 10 A1 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BAE4579310, 16 bytes long.
Data: <p=W º > 70 3D 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BAE4573D70, 40 bytes long.
Data: < W º `¡z º > 10 93 57 E4 BA 01 00 00 60 A1 7A E6 BA 01 00 00
{259} normal block at 0x000001BAE4579E50, 16 bytes long.
Data: < W º > F0 A0 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BAE4579B30, 16 bytes long.
Data: <È W º > C8 A0 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BAE4575490, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001BAE4579220, 16 bytes long.
Data: < W º > A0 A0 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BAE457A0A0, 992 bytes long.
Data: < W º TW º > 20 92 57 E4 BA 01 00 00 90 54 57 E4 BA 01 00 00
{91} normal block at 0x000001BAE45757F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001BAE456DB00, 16 bytes long.
Data: <°;W º > B0 3B 57 E4 BA 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001BAE4573BB0, 40 bytes long.
Data: < ÛV º WW º > 00 DB 56 E4 BA 01 00 00 F0 57 57 E4 BA 01 00 00
{66} normal block at 0x000001BAE456D4C0, 16 bytes long.
Data: < > 80 EA F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BAE456D470, 16 bytes long.
Data: <@ > 40 E9 F0 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BAE456DA10, 16 bytes long.
Data: < W > F8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BAE456D880, 16 bytes long.
Data: <ØW > D8 57 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BAE456DD30, 16 bytes long.
Data: <P > 50 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BAE456D240, 16 bytes long.
Data: <0 > 30 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BAE456D9C0, 16 bytes long.
Data: < > E0 02 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BAE456DE20, 16 bytes long.
Data: < > 10 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BAE456D650, 16 bytes long.
Data: <p > 70 04 ED 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BAE456D600, 16 bytes long.
Data: < À > 18 C0 EB 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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