Task 38679421
| Name | test_412-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2255_0 |
| Workunit | 31621197 |
| Created | 26 Oct 2026, 20:31:00 UTC |
| Sent | 26 Oct 2026, 20:31:05 UTC |
| Report deadline | 31 Oct 2026, 20:31:05 UTC |
| Received | 26 Oct 2026, 20:34:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 640448 |
| Run time | 1 min 9 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 50.35 MB |
| Peak swap size | 35.70 MB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:33:06 (22748): wrapper (7.9.26016): starting
21:33:06 (22748): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
21:33:07 (22748): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:33:07 (22748): 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 'C:\ProgramData\BOINC\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
21:33:22 (22748): C:/Windows/system32/cmd.exe exited; CPU time 0.296875
21:33:22 (22748): app exit status: 0x16
21:33:22 (22748): 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: 369659 bytes.
Dumping objects ->
{3835418} normal block at 0x000001A4A29C3930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835407} normal block at 0x000001A4A29C3F50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835396} normal block at 0x000001A4A29C3D20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835385} normal block at 0x000001A4A29C3D90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835374} normal block at 0x000001A4A29C3A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835343} normal block at 0x000001A4A46F5D90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835330} normal block at 0x000001A4A29BEA00, 8 bytes long.
Data: < ¢¤ > 00 00 98 A2 A4 01 00 00
{3833957} normal block at 0x000001A4A29BE370, 8 bytes long.
Data: <pBu¤¤ > 70 42 75 A4 A4 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A4A29C06B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A4A29B5A40, 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 0x000001A4A29C4F00, 16 bytes long.
Data: <(Yœ¢¤ > 28 59 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A4A29C5130, 16 bytes long.
Data: < Yœ¢¤ > 00 59 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A4A29BF5A0, 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 0x000001A4A29C4EB0, 16 bytes long.
Data: <ØXœ¢¤ > D8 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A4A29C4E10, 16 bytes long.
Data: <°Xœ¢¤ > B0 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A4A29C4C30, 16 bytes long.
Data: < Xœ¢¤ > 88 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A4A29C54A0, 16 bytes long.
Data: <`Xœ¢¤ > 60 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A4A29ADD90, 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 0x000001A4A29C5450, 16 bytes long.
Data: <xÿš¢¤ > 78 FF 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A4A29BFBA0, 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 0x000001A4A29C4C80, 16 bytes long.
Data: <Pÿš¢¤ > 50 FF 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A4A29C4CD0, 16 bytes long.
Data: <(ÿš¢¤ > 28 FF 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A4A29C4BE0, 16 bytes long.
Data: < ÿš¢¤ > 00 FF 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A4A29C5540, 16 bytes long.
Data: <Øþš¢¤ > D8 FE 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A4A29C4910, 16 bytes long.
Data: <°þš¢¤ > B0 FE 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A4A29C4AF0, 16 bytes long.
Data: < þš¢¤ > 88 FE 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A4A29BFA80, 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 0x000001A4A29C4A50, 16 bytes long.
Data: <`þš¢¤ > 60 FE 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A4A29AFE60, 320 bytes long.
Data: <PJœ¢¤ ú›¢¤ > 50 4A 9C A2 A4 01 00 00 80 FA 9B A2 A4 01 00 00
{274} normal block at 0x000001A4A29C4FA0, 16 bytes long.
Data: <@Xœ¢¤ > 40 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A4A29C4D70, 16 bytes long.
Data: < Xœ¢¤ > 18 58 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A4A29BFA20, 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 0x000001A4A29C4730, 16 bytes long.
Data: <ðWœ¢¤ > F0 57 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A4A29BF9C0, 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 0x000001A4A29C5400, 16 bytes long.
Data: <8Wœ¢¤ > 38 57 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A4A29C4A00, 16 bytes long.
Data: < Wœ¢¤ > 10 57 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A4A29C4F50, 16 bytes long.
Data: <èVœ¢¤ > E8 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A4A29C4960, 16 bytes long.
Data: <ÀVœ¢¤ > C0 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A4A29C46E0, 16 bytes long.
Data: < Vœ¢¤ > 98 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A4A29C5360, 16 bytes long.
Data: <pVœ¢¤ > 70 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A4A29C4D20, 16 bytes long.
Data: <`Çš¢¤ > 60 C7 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A4A29AC760, 40 bytes long.
Data: < Mœ¢¤ ]o¤¤ > 20 4D 9C A2 A4 01 00 00 90 5D 6F A4 A4 01 00 00
{260} normal block at 0x000001A4A29C4DC0, 16 bytes long.
Data: <PVœ¢¤ > 50 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A4A29C4640, 16 bytes long.
Data: <(Vœ¢¤ > 28 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A4A29BFDE0, 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 0x000001A4A29C5220, 16 bytes long.
Data: < Vœ¢¤ > 00 56 9C A2 A4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A4A29C5600, 992 bytes long.
Data: < Rœ¢¤ àý›¢¤ > 20 52 9C A2 A4 01 00 00 E0 FD 9B A2 A4 01 00 00
{92} normal block at 0x000001A4A29BFC00, 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 0x000001A4A29BEF50, 16 bytes long.
Data: <0¾š¢¤ > 30 BE 9A A2 A4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001A4A29ABE30, 40 bytes long.
Data: <P¤ ü›¢¤ > 50 EF 9B A2 A4 01 00 00 00 FC 9B A2 A4 01 00 00
{69} normal block at 0x000001A4A29BEAA0, 16 bytes long.
Data: < êPiö > 80 EA 50 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A4A29BED20, 16 bytes long.
Data: <@éPiö > 40 E9 50 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A4A29BEB90, 16 bytes long.
Data: <øWMiö > F8 57 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A4A29BE4B0, 16 bytes long.
Data: <ØWMiö > D8 57 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A4A29BEDC0, 16 bytes long.
Data: <P Miö > 50 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A4A29BE640, 16 bytes long.
Data: <0 Miö > 30 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A4A29BEB40, 16 bytes long.
Data: <à Miö > E0 02 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A4A29BE0A0, 16 bytes long.
Data: < Miö > 10 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A4A29BE5F0, 16 bytes long.
Data: <p Miö > 70 04 4D 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A4A29BE230, 16 bytes long.
Data: < ÀKiö > 18 C0 4B 69 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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