Task 38641920
| Name | tnks2_A07_A09_r0_2-QUICO_ATM_OpenFF23_NAGL_tnks2-5-6-RND9059_0 |
| Workunit | 31588978 |
| Created | 3 May 2026, 13:21:10 UTC |
| Sent | 3 May 2026, 13:21:14 UTC |
| Report deadline | 8 May 2026, 13:21:14 UTC |
| Received | 3 May 2026, 14:08:40 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 624957 |
| Run time | 2 min 53 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,882.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 208.48 MB |
| Peak swap size | 6.04 GB |
| Peak disk usage | 1.45 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:05:26 (13860): wrapper (7.9.26016): starting
09:05:26 (13860): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A09_0.pdb
QB_A07_A09_0.xml
QB_A07_A09.inpcrd
QB_A07_A09_input.yaml
QB_A07_A09.pdb
QB_A07_A09.prmtop
QB_A07_A09_sys.xml
run.bat
run.sh
09:05:28 (13860): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:05:28 (13860): 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\17\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\17\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\17\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\17\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\17\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
09:06:52 (13860): C:/Windows/system32/cmd.exe exited; CPU time 2.781250
09:06:52 (13860): app exit status: 0x16
09:06:52 (13860): 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: 797711 bytes.
Dumping objects ->
{3835202} normal block at 0x000001E4C5AED230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001E4C3DA4B10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001E4C3DA4AA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001E4C3DA4A30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001E4C3DA4F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001E4C5B37440, 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) : {3835114} normal block at 0x000001E4C3D9D2D0, 8 bytes long.
Data: < ÕÃä > 00 00 D5 C3 E4 01 00 00
{3833965} normal block at 0x000001E4C3D9D500, 8 bytes long.
Data: <`×ØÃä > 60 D7 D8 C3 E4 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E4C3D90B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001E4C3D91C40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001E4C3DA59D0, 16 bytes long.
Data: <hgÚÃä > 68 67 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E4C3DA5DE0, 16 bytes long.
Data: <@gÚÃä > 40 67 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E4C3DA11F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001E4C3DA6060, 16 bytes long.
Data: < gÚÃä > 18 67 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E4C3DA5AC0, 16 bytes long.
Data: <ðfÚÃä > F0 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E4C3DA5930, 16 bytes long.
Data: <ÈfÚÃä > C8 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E4C3DA6010, 16 bytes long.
Data: < fÚÃä > A0 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E4C3DA4D40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001E4C3DA58E0, 16 bytes long.
Data: <x ÚÃä > 78 08 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E4C3DA09B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001E4C3DA6380, 16 bytes long.
Data: <P ÚÃä > 50 08 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E4C3DA5A20, 16 bytes long.
Data: <( ÚÃä > 28 08 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E4C3DA5700, 16 bytes long.
Data: < ÚÃä > 00 08 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E4C3DA5A70, 16 bytes long.
Data: <Ø ÚÃä > D8 07 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E4C3DA6330, 16 bytes long.
Data: <° ÚÃä > B0 07 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E4C3DA5890, 16 bytes long.
Data: < ÚÃä > 88 07 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E4C3DA0E90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001E4C3DA5B60, 16 bytes long.
Data: <` ÚÃä > 60 07 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E4C3DA0760, 320 bytes long.
Data: <`[ÚÃä ÚÃä > 60 5B DA C3 E4 01 00 00 90 0E DA C3 E4 01 00 00
{278} normal block at 0x000001E4C3DA5980, 16 bytes long.
Data: < fÚÃä > 80 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E4C3DA5570, 16 bytes long.
Data: <XfÚÃä > 58 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E4C3DA0EF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001E4C3DA5F70, 16 bytes long.
Data: <0fÚÃä > 30 66 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E4C3DA0950, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001E4C3DA5660, 16 bytes long.
Data: <xeÚÃä > 78 65 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E4C3DA5D40, 16 bytes long.
Data: <PeÚÃä > 50 65 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E4C3DA61F0, 16 bytes long.
Data: <(eÚÃä > 28 65 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E4C3DA5D90, 16 bytes long.
Data: < eÚÃä > 00 65 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E4C3DA5840, 16 bytes long.
Data: <ØdÚÃä > D8 64 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E4C3DA57F0, 16 bytes long.
Data: <°dÚÃä > B0 64 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E4C3DA5C00, 16 bytes long.
Data: <pHÚÃä > 70 48 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E4C3DA4870, 40 bytes long.
Data: < \ÚÃä @t³Åä > 00 5C DA C3 E4 01 00 00 40 74 B3 C5 E4 01 00 00
{264} normal block at 0x000001E4C3DA5CF0, 16 bytes long.
Data: < dÚÃä > 90 64 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E4C3DA5F20, 16 bytes long.
Data: <hdÚÃä > 68 64 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E4C3DA1070, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001E4C3DA56B0, 16 bytes long.
Data: <@dÚÃä > 40 64 DA C3 E4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E4C3DA6440, 992 bytes long.
Data: <°VÚÃä p ÚÃä > B0 56 DA C3 E4 01 00 00 70 10 DA C3 E4 01 00 00
{96} normal block at 0x000001E4C3DA1190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001E4C3D9D370, 16 bytes long.
Data: <ÀÒØÃä > C0 D2 D8 C3 E4 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001E4C3D8D2C0, 40 bytes long.
Data: <pÓÙÃä ÚÃä > 70 D3 D9 C3 E4 01 00 00 90 11 DA C3 E4 01 00 00
{73} normal block at 0x000001E4C3D9D4B0, 16 bytes long.
Data: < êÓøö > 80 EA D3 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E4C3D9DE10, 16 bytes long.
Data: <@éÓøö > 40 E9 D3 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E4C3D9DD20, 16 bytes long.
Data: <øWÐøö > F8 57 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E4C3D9DAF0, 16 bytes long.
Data: <ØWÐøö > D8 57 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E4C3D9DA00, 16 bytes long.
Data: <P Ðøö > 50 04 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E4C3D9D780, 16 bytes long.
Data: <0 Ðøö > 30 04 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E4C3D9DAA0, 16 bytes long.
Data: <à Ðøö > E0 02 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E4C3D9D0A0, 16 bytes long.
Data: < Ðøö > 10 04 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E4C3D9D9B0, 16 bytes long.
Data: <p Ðøö > 70 04 D0 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E4C3D9D280, 16 bytes long.
Data: < ÀÎøö > 18 C0 CE F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra