Task 38649697
| Name | test_851-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND6661_0 |
| Workunit | 31594294 |
| Created | 23 Oct 2026, 21:54:38 UTC |
| Sent | 23 Oct 2026, 22:10:56 UTC |
| Report deadline | 28 Oct 2026, 22:10:56 UTC |
| Received | 24 Oct 2026, 0:48:59 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654696 |
| Run time | 9 min 52 sec |
| CPU time | 8 min 5 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.66 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 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>
02:19:27 (31844): wrapper (7.9.26016): starting
02:19:27 (31844): 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
02:19:29 (31844): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:19:29 (31844): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835205} normal block at 0x0000011F12C59940, 8 bytes long.
Data: < > 00 00 BB 12 1F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x0000011F12C64F80, 1080 bytes long.
Data: < a P > C4 61 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000011F12C65930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:29:08 (21280): wrapper (7.9.26016): starting
02:29:08 (21280): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1544} normal block at 0x000001A5F6EE5520, 8 bytes long.
Data: < > 00 00 E3 F6 A5 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001A5F6EE6400, 1080 bytes long.
Data: <|4 L > 7C 34 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
02:34:49 (15296): wrapper (7.9.26016): starting
02:34:49 (15296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1544} normal block at 0x000001D3160978C0, 8 bytes long.
Data: < > 00 00 FD 15 D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001D316098070, 1080 bytes long.
Data: < . H > C0 2E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
02:47:20 (39208): wrapper (7.9.26016): starting
02:47:20 (39208): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
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 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 80, in update_state_of_replica
replica = self.openmm_replicas[repl]
~~~~~~~~~~~~~~~~~~~~^^^^^^
IndexError: list index out of range
02:47:39 (39208): C:/Windows/system32/cmd.exe exited; CPU time 9.828125
02:47:39 (39208): app exit status: 0x16
02:47:39 (39208): 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: 429774 bytes.
Dumping objects ->
{1632} normal block at 0x00000200E9DCCA50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1621} normal block at 0x00000200E9DCCC10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1610} normal block at 0x00000200E9DCC970, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1599} normal block at 0x00000200E9DCD070, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1588} normal block at 0x00000200E9DCCCF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1557} normal block at 0x00000200E9DBD9A0, 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) : {1544} normal block at 0x00000200E9DD4D20, 8 bytes long.
Data: < > 00 00 D6 E9 00 02 00 00
{312} normal block at 0x00000200E9DD4E60, 8 bytes long.
Data: <0X > 30 58 DD E9 00 02 00 00
{303} normal block at 0x00000200E9DBBC10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000200E9DD4230, 16 bytes long.
Data: <8W > 38 57 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000200E9DD4960, 16 bytes long.
Data: < W > 10 57 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000200E9DD0770, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000200E9DD4140, 16 bytes long.
Data: < V > E8 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000200E9DD40F0, 16 bytes long.
Data: < V > C0 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000200E9DD45F0, 16 bytes long.
Data: < V > 98 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000200E9DD40A0, 16 bytes long.
Data: <pV > 70 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000200E9DCCAC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000200E9DD4280, 16 bytes long.
Data: < > > E8 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000200E9DD0290, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000200E9DD4910, 16 bytes long.
Data: < > > C0 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000200E9DD4FA0, 16 bytes long.
Data: < > > 98 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000200E9DD48C0, 16 bytes long.
Data: <p> > 70 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000200E9DD4190, 16 bytes long.
Data: <H> > 48 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000200E9DD45A0, 16 bytes long.
Data: < > > 20 3E DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000200E9DD4410, 16 bytes long.
Data: < = > F8 3D DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000200E9DCFAB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000200E9DD4820, 16 bytes long.
Data: < = > D0 3D DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000200E9DD3DD0, 320 bytes long.
Data: < H > 20 48 DD E9 00 02 00 00 B0 FA DC E9 00 02 00 00
{282} normal block at 0x00000200E9DD4F50, 16 bytes long.
Data: <PV > 50 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000200E9DD4A50, 16 bytes long.
Data: <(V > 28 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000200E9DCFF30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000200E9DD4F00, 16 bytes long.
Data: < V > 00 56 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000200E9DCFD50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000200E9DD4CD0, 16 bytes long.
Data: <HU > 48 55 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000200E9DD47D0, 16 bytes long.
Data: < U > 20 55 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000200E9DD4EB0, 16 bytes long.
Data: < T > F8 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000200E9DD4C80, 16 bytes long.
Data: < T > D0 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000200E9DD4550, 16 bytes long.
Data: < T > A8 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000200E9DD4C30, 16 bytes long.
Data: < T > 80 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000200E9DD4730, 16 bytes long.
Data: < > 20 CF DC E9 00 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000200E9DCCF20, 40 bytes long.
Data: <0G > 30 47 DD E9 00 02 00 00 A0 D9 DB E9 00 02 00 00
{268} normal block at 0x00000200E9DD4AF0, 16 bytes long.
Data: <`T > 60 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000200E9DD4E10, 16 bytes long.
Data: <8T > 38 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000200E9DCF8D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000200E9DD4DC0, 16 bytes long.
Data: < T > 10 54 DD E9 00 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000200E9DD5410, 992 bytes long.
Data: < M > C0 4D DD E9 00 02 00 00 D0 F8 DC E9 00 02 00 00
{100} normal block at 0x00000200E9DCFC90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000200E9DC83B0, 16 bytes long.
Data: < > 80 CC DC E9 00 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000200E9DCCC80, 40 bytes long.
Data: < > B0 83 DC E9 00 02 00 00 90 FC DC E9 00 02 00 00
{77} normal block at 0x00000200E9DC7FF0, 16 bytes long.
Data: < v > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000200E9DC8AE0, 16 bytes long.
Data: <@ v > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000200E9DC8A40, 16 bytes long.
Data: < W v > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000200E9DC7EB0, 16 bytes long.
Data: < W v > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000200E9DC89F0, 16 bytes long.
Data: <P v > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000200E9DC84F0, 16 bytes long.
Data: <0 v > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000200E9DC8B30, 16 bytes long.
Data: < v > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000200E9DC7E10, 16 bytes long.
Data: < v > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000200E9DC87C0, 16 bytes long.
Data: <p v > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000200E9DC84A0, 16 bytes long.
Data: < v > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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