Task 38624029
| Name | p38_A27_A25_r0_2-QUICO_ATM_OpenFF_p38-5-6-RND6356_0 |
| Workunit | 31574548 |
| Created | 22 Apr 2026, 8:38:35 UTC |
| Sent | 22 Apr 2026, 8:38:38 UTC |
| Report deadline | 27 Apr 2026, 8:38:38 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 | 3 min 11 sec |
| CPU time | 34 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 | 453.46 MB |
| Peak swap size | 4.78 GB |
| Peak disk usage | 2.84 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
15:57:11 (20272): wrapper (7.9.26016): starting
15:57:11 (20272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_0.pdb
QB_A27_A25_0.xml
QB_A27_A25.inpcrd
QB_A27_A25_input.yaml
QB_A27_A25.pdb
QB_A27_A25.prmtop
QB_A27_A25_sys.xml
run.bat
run.sh
15:57:12 (20272): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:57:12 (20272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/pyaml/
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 443, in start_worker
self._openmm_worker_body()
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "D:\BOINCDATA\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCDATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINCDATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
15:59:29 (20272): C:/Windows/system32/cmd.exe exited; CPU time 34.578125
15:59:29 (20272): app exit status: 0x16
15:59:29 (20272): 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: 1638351 bytes.
Dumping objects ->
{3835307} normal block at 0x00000215EBAA6370, 48 bytes long.
Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835296} normal block at 0x00000215ED7B3150, 32 bytes long.
Data: <HOME=D:\BOINCDAT> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835285} normal block at 0x00000215ED7B2910, 32 bytes long.
Data: <TMP=D:\BOINCDATA> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 41
{3835274} normal block at 0x00000215ED7B23D0, 32 bytes long.
Data: <TEMP=D:\BOINCDAT> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835263} normal block at 0x00000215ED7B2190, 32 bytes long.
Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44
{3835232} normal block at 0x00000215EBAA6530, 48 bytes long.
Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54
{3835221} normal block at 0x00000215ED7BBF20, 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 0x00000215EBA76C90, 8 bytes long.
Data: < ¢ë > 00 00 A2 EB 15 02 00 00
{3834576} normal block at 0x00000215ED7BC100, 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 0x00000215EBA769C0, 8 bytes long.
Data: <`rkí > 60 72 6B ED 15 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000215EBA814E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000215EBA65C30, 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 0x00000215EBA82C50, 16 bytes long.
Data: <Ø5¨ë > D8 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000215EBA82E30, 16 bytes long.
Data: <°5¨ë > B0 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000215EBA7CB10, 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 0x00000215EBA83240, 16 bytes long.
Data: < 5¨ë > 88 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000215EBA82FC0, 16 bytes long.
Data: <`5¨ë > 60 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000215EBA82700, 16 bytes long.
Data: <85¨ë > 38 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000215EBA82C00, 16 bytes long.
Data: < 5¨ë > 10 35 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000215EBA7B390, 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 0x00000215EBA82BB0, 16 bytes long.
Data: <È[¦ë > C8 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000215EBA7D3B0, 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 0x00000215EBA826B0, 16 bytes long.
Data: < [¦ë > A0 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000215EBA82CA0, 16 bytes long.
Data: <x[¦ë > 78 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000215EBA82840, 16 bytes long.
Data: <P[¦ë > 50 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000215EBA822F0, 16 bytes long.
Data: <([¦ë > 28 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000215EBA82DE0, 16 bytes long.
Data: < [¦ë > 00 5B A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000215EBA83060, 16 bytes long.
Data: <ØZ¦ë > D8 5A A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000215EBA7C870, 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 0x00000215EBA825C0, 16 bytes long.
Data: <°Z¦ë > B0 5A A6 EB 15 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000215EBA65AB0, 320 bytes long.
Data: <À%¨ë pȧë > C0 25 A8 EB 15 02 00 00 70 C8 A7 EB 15 02 00 00
{269} normal block at 0x00000215EBA82F20, 16 bytes long.
Data: <ð4¨ë > F0 34 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000215EBA82660, 16 bytes long.
Data: <È4¨ë > C8 34 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000215EBA7D0B0, 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 0x00000215EBA83150, 16 bytes long.
Data: < 4¨ë > A0 34 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000215EBA7CCF0, 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 0x00000215EBA83100, 16 bytes long.
Data: <è3¨ë > E8 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000215EBA82520, 16 bytes long.
Data: <À3¨ë > C0 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000215EBA82A70, 16 bytes long.
Data: < 3¨ë > 98 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000215EBA82930, 16 bytes long.
Data: <p3¨ë > 70 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000215EBA82610, 16 bytes long.
Data: <H3¨ë > 48 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000215EBA82750, 16 bytes long.
Data: < 3¨ë > 20 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000215EBA82390, 16 bytes long.
Data: < ᤑ > 10 B7 A7 EB 15 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000215EBA7B710, 40 bytes long.
Data: < #¨ë 0eªë > 90 23 A8 EB 15 02 00 00 30 65 AA EB 15 02 00 00
{255} normal block at 0x00000215EBA828E0, 16 bytes long.
Data: < 3¨ë > 00 33 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000215EBA82B60, 16 bytes long.
Data: <Ø2¨ë > D8 32 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000215EBA7D050, 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 0x00000215EBA82570, 16 bytes long.
Data: <°2¨ë > B0 32 A8 EB 15 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000215EBA832B0, 992 bytes long.
Data: <p%¨ë PЧë > 70 25 A8 EB 15 02 00 00 50 D0 A7 EB 15 02 00 00
{87} normal block at 0x00000215EBA7D2F0, 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 0x00000215EBA76790, 16 bytes long.
Data: <°²§ë > B0 B2 A7 EB 15 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000215EBA7B2B0, 40 bytes long.
Data: < g§ë ðÒ§ë > 90 67 A7 EB 15 02 00 00 F0 D2 A7 EB 15 02 00 00
{64} normal block at 0x00000215EBA76970, 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 0x00000215EBA766F0, 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 0x00000215EBA77140, 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 0x00000215EBA76510, 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 0x00000215EBA76470, 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 0x00000215EBA76F60, 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 0x00000215EBA766A0, 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 0x00000215EBA76650, 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 0x00000215EBA77050, 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 0x00000215EBA76E70, 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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