Task 38620336
| Name | hif2a_2_A01_A11_r0_2-QUICO_ATM_OpenFF_NAGL_hif2a_2-4-6-RND3047_0 |
| Workunit | 31571567 |
| Created | 19 Apr 2026, 7:51:28 UTC |
| Sent | 19 Apr 2026, 7:51:36 UTC |
| Report deadline | 24 Apr 2026, 7:51:36 UTC |
| Received | 19 Apr 2026, 7:57:18 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 629688 |
| Run time | 48 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,121.71 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 123.27 MB |
| Peak swap size | 8.96 GB |
| Peak disk usage | 1.54 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:52:38 (27872): wrapper (7.9.26016): starting
09:52:38 (27872): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A11_0.pdb
QB_A01_A11_0.xml
QB_A01_A11.inpcrd
QB_A01_A11_input.yaml
QB_A01_A11.pdb
QB_A01_A11.prmtop
QB_A01_A11_sys.xml
run.bat
run.sh
09:52:39 (27872): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:52:39 (27872): 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 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Access violation - no RTTI data!
09:52:47 (27872): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
09:52:47 (27872): app exit status: 0x16
09:52:47 (27872): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 267413 bytes.
Dumping objects ->
{3835513} normal block at 0x000001A682B69AC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001A682B6A230, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835491} normal block at 0x000001A682B44680, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835480} normal block at 0x000001A682B44CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x000001A682B448B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835438} normal block at 0x000001A6848B7CF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x000001A6848CE470, 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) : {3835424} normal block at 0x000001A682B3D800, 8 bytes long.
Data: < ƒ¦ > 00 00 0C 83 A6 01 00 00
{3834681} normal block at 0x000001A6848CEC00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001A682B3D2B0, 8 bytes long.
Data: <0Ú²‚¦ > 30 DA B2 82 A6 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A682B30E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A682B32570, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001A682B45BD0, 16 bytes long.
Data: <8g´‚¦ > 38 67 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A682B457C0, 16 bytes long.
Data: < g´‚¦ > 10 67 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A682B40AB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001A682B45770, 16 bytes long.
Data: <èf´‚¦ > E8 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A682B45B80, 16 bytes long.
Data: <Àf´‚¦ > C0 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A682B45720, 16 bytes long.
Data: < f´‚¦ > 98 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A682B45590, 16 bytes long.
Data: <pf´‚¦ > 70 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A682B44610, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001A682B45540, 16 bytes long.
Data: <¨ ³‚¦ > A8 06 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A682B40BD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001A682B45B30, 16 bytes long.
Data: < ³‚¦ > 80 06 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A682B455E0, 16 bytes long.
Data: <X ³‚¦ > 58 06 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A682B456D0, 16 bytes long.
Data: <0 ³‚¦ > 30 06 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A682B459F0, 16 bytes long.
Data: < ³‚¦ > 08 06 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A682B463A0, 16 bytes long.
Data: <à ³‚¦ > E0 05 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A682B45CC0, 16 bytes long.
Data: <¸ ³‚¦ > B8 05 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A682B40F90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001A682B454F0, 16 bytes long.
Data: < ³‚¦ > 90 05 B3 82 A6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A682B30590, 320 bytes long.
Data: <ðT´‚¦ ´‚¦ > F0 54 B4 82 A6 01 00 00 90 0F B4 82 A6 01 00 00
{275} normal block at 0x000001A682B45AE0, 16 bytes long.
Data: <Pf´‚¦ > 50 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A682B45F40, 16 bytes long.
Data: <(f´‚¦ > 28 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A682B41290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001A682B458B0, 16 bytes long.
Data: < f´‚¦ > 00 66 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A682B414D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001A682B46350, 16 bytes long.
Data: <He´‚¦ > 48 65 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A682B46300, 16 bytes long.
Data: < e´‚¦ > 20 65 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A682B45A90, 16 bytes long.
Data: <ød´‚¦ > F8 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A682B462B0, 16 bytes long.
Data: <Ðd´‚¦ > D0 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A682B46080, 16 bytes long.
Data: <¨d´‚¦ > A8 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A682B45810, 16 bytes long.
Data: < d´‚¦ > 80 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A682B46260, 16 bytes long.
Data: <`G´‚¦ > 60 47 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A682B44760, 40 bytes long.
Data: <`b´‚¦ ð|‹„¦ > 60 62 B4 82 A6 01 00 00 F0 7C 8B 84 A6 01 00 00
{261} normal block at 0x000001A682B454A0, 16 bytes long.
Data: <`d´‚¦ > 60 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A682B46210, 16 bytes long.
Data: <8d´‚¦ > 38 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A682B40F30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001A682B45680, 16 bytes long.
Data: < d´‚¦ > 10 64 B4 82 A6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A682B46410, 992 bytes long.
Data: < V´‚¦ 0 ´‚¦ > 80 56 B4 82 A6 01 00 00 30 0F B4 82 A6 01 00 00
{93} normal block at 0x000001A682B407B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001A682B3D1C0, 16 bytes long.
Data: < ײ‚¦ > 00 D7 B2 82 A6 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001A682B2D700, 40 bytes long.
Data: <Àѳ‚¦ ° ´‚¦ > C0 D1 B3 82 A6 01 00 00 B0 07 B4 82 A6 01 00 00
{70} normal block at 0x000001A682B3DAD0, 16 bytes long.
Data: < êÑÿ÷ > 80 EA D1 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A682B3DDF0, 16 bytes long.
Data: <@éÑÿ÷ > 40 E9 D1 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A682B3D5D0, 16 bytes long.
Data: <øWÎÿ÷ > F8 57 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A682B3D530, 16 bytes long.
Data: <ØWÎÿ÷ > D8 57 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A682B3DDA0, 16 bytes long.
Data: <P Îÿ÷ > 50 04 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A682B3D170, 16 bytes long.
Data: <0 Îÿ÷ > 30 04 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A682B3D440, 16 bytes long.
Data: <à Îÿ÷ > E0 02 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A682B3D0D0, 16 bytes long.
Data: < Îÿ÷ > 10 04 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A682B3D620, 16 bytes long.
Data: <p Îÿ÷ > 70 04 CE FF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A682B3CF90, 16 bytes long.
Data: < ÀÌÿ÷ > 18 C0 CC FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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