Task 38623849
| Name | p38_2_A10_A06_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-3-6-RND4124_0 |
| Workunit | 31574395 |
| Created | 22 Apr 2026, 1:27:20 UTC |
| Sent | 22 Apr 2026, 1:27:24 UTC |
| Report deadline | 27 Apr 2026, 1:27:24 UTC |
| Received | 22 Apr 2026, 9:05:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652012 |
| Run time | 2 min 8 sec |
| CPU time | 48 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,143.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 618.76 MB |
| Peak swap size | 5.01 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
15:54:53 (20244): wrapper (7.9.26016): starting
15:54:53 (20244): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A06_0.pdb
QB_A10_A06_0.xml
QB_A10_A06.inpcrd
QB_A10_A06_input.yaml
QB_A10_A06.pdb
QB_A10_A06.prmtop
QB_A10_A06_sys.xml
run.bat
run.sh
15:54:54 (20244): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:54:54 (20244): 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 'D:\BOINCDATA\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 'D:\BOINCDATA\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 "D:\BOINCDATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINCDATA\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 "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
self.simulation.loadState(self.basename + "_0.xml")
File "D:\BOINCDATA\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCDATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCDATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
return _openmm.XmlSerializer__deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'type' in node ''
15:56:09 (20244): C:/Windows/system32/cmd.exe exited; CPU time 48.531250
15:56:09 (20244): app exit status: 0x16
15:56:09 (20244): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 1110889 bytes.
Dumping objects ->
{3835306} normal block at 0x000001E46F015970, 48 bytes long.
Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835295} normal block at 0x000001E470C12A90, 32 bytes long.
Data: <HOME=D:\BOINCDAT> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835284} normal block at 0x000001E470C129D0, 32 bytes long.
Data: <TMP=D:\BOINCDATA> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 41
{3835273} normal block at 0x000001E470C12EB0, 32 bytes long.
Data: <TEMP=D:\BOINCDAT> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835262} normal block at 0x000001E470C13210, 32 bytes long.
Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44
{3835231} normal block at 0x000001E46F015E40, 48 bytes long.
Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835220} normal block at 0x000001E470AD4710, 180 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) : {3835217} normal block at 0x000001E46EFE6750, 8 bytes long.
Data: < •pä > 00 00 95 70 E4 01 00 00
{3834576} normal block at 0x000001E470AD49E0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001E46EFE63E0, 8 bytes long.
Data: <p² oä > 70 B2 0C 6F E4 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E46EFF14F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E46EFD5C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001E46EFF2350, 16 bytes long.
Data: <è5ÿnä > E8 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E46EFF2D50, 16 bytes long.
Data: <À5ÿnä > C0 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E46EFEC9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001E46EFF3250, 16 bytes long.
Data: < 5ÿnä > 98 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E46EFF29E0, 16 bytes long.
Data: <p5ÿnä > 70 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E46EFF2850, 16 bytes long.
Data: <H5ÿnä > 48 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E46EFF3200, 16 bytes long.
Data: < 5ÿnä > 20 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E46EFEB640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001E46EFF2990, 16 bytes long.
Data: <È[ýnä > C8 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E46EFEC700, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001E46EFF2E40, 16 bytes long.
Data: < [ýnä > A0 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E46EFF2670, 16 bytes long.
Data: <x[ýnä > 78 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E46EFF2DF0, 16 bytes long.
Data: <P[ýnä > 50 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E46EFF2D00, 16 bytes long.
Data: <([ýnä > 28 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E46EFF30C0, 16 bytes long.
Data: < [ýnä > 00 5B FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E46EFF23F0, 16 bytes long.
Data: <ØZýnä > D8 5A FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E46EFED300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001E46EFF2BC0, 16 bytes long.
Data: <°Zýnä > B0 5A FD 6E E4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E46EFD5AB0, 320 bytes long.
Data: <À+ÿnä Óþnä > C0 2B FF 6E E4 01 00 00 00 D3 FE 6E E4 01 00 00
{269} normal block at 0x000001E46EFF27B0, 16 bytes long.
Data: < 5ÿnä > 00 35 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E46EFF2B70, 16 bytes long.
Data: <Ø4ÿnä > D8 34 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E46EFEC8E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001E46EFF2C10, 16 bytes long.
Data: <°4ÿnä > B0 34 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E46EFEC580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001E46EFF2B20, 16 bytes long.
Data: <ø3ÿnä > F8 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E46EFF2A80, 16 bytes long.
Data: <Ð3ÿnä > D0 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E46EFF3020, 16 bytes long.
Data: <¨3ÿnä > A8 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E46EFF2DA0, 16 bytes long.
Data: < 3ÿnä > 80 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E46EFF2C60, 16 bytes long.
Data: <X3ÿnä > 58 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E46EFF2620, 16 bytes long.
Data: <03ÿnä > 30 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E46EFF2940, 16 bytes long.
Data: < ·þnä > 90 B7 FE 6E E4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E46EFEB790, 40 bytes long.
Data: <@)ÿnä @^ oä > 40 29 FF 6E E4 01 00 00 40 5E 01 6F E4 01 00 00
{255} normal block at 0x000001E46EFF2530, 16 bytes long.
Data: < 3ÿnä > 10 33 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E46EFF28F0, 16 bytes long.
Data: <è2ÿnä > E8 32 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E46EFECD00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001E46EFF3160, 16 bytes long.
Data: <À2ÿnä > C0 32 FF 6E E4 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001E46EFF32C0, 992 bytes long.
Data: <`1ÿnä Íþnä > 60 31 FF 6E E4 01 00 00 00 CD FE 6E E4 01 00 00
{87} normal block at 0x000001E46EFED240, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001E46EFE68E0, 16 bytes long.
Data: < ·þnä > 20 B7 FE 6E E4 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001E46EFEB720, 40 bytes long.
Data: <àhþnä @Òþnä > E0 68 FE 6E E4 01 00 00 40 D2 FE 6E E4 01 00 00
{64} normal block at 0x000001E46EFE7010, 16 bytes long.
Data: < êÇï÷ > 80 EA C7 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E46EFE65C0, 16 bytes long.
Data: <@éÇï÷ > 40 E9 C7 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E46EFE6700, 16 bytes long.
Data: <øWÄï÷ > F8 57 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E46EFE6570, 16 bytes long.
Data: <ØWÄï÷ > D8 57 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E46EFE6520, 16 bytes long.
Data: <P Äï÷ > 50 04 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E46EFE6610, 16 bytes long.
Data: <0 Äï÷ > 30 04 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E46EFE7290, 16 bytes long.
Data: <à Äï÷ > E0 02 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E46EFE6CA0, 16 bytes long.
Data: < Äï÷ > 10 04 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E46EFE6A70, 16 bytes long.
Data: <p Äï÷ > 70 04 C4 EF F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001E46EFE6A20, 16 bytes long.
Data: < ÀÂï÷ > 18 C0 C2 EF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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