Task 38659761

Name test_1685-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4990_0
Workunit 31603301
Created 24 Oct 2026, 13:36:17 UTC
Sent 24 Oct 2026, 16:23:48 UTC
Report deadline 29 Oct 2026, 16:23:48 UTC
Received 24 Oct 2026, 16:57:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654255
Run time 8 min 37 sec
CPU time 6 min 54 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.40 MB
Peak swap size 5.33 GB
Peak disk usage 2.96 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:47:30 (30260): wrapper (7.9.26016): starting
18:47:30 (30260): 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
18:47:31 (30260): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:47:31 (30260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
  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) : {3835204} normal block at 0x000001C92376E930, 8 bytes long.
 Data: <   #    > 00 00 C6 23 C9 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001C925564610, 1080 bytes long.
 Data: <\C              > 5C 43 00 00 CD CD CD CD FC 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C923771AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
18:55:14 (8744): wrapper (7.9.26016): starting
18:55:14 (8744): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi&#133; esistente.
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 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
18:55:45 (8744): C:/Windows/system32/cmd.exe exited; CPU time 6.406250
18:55:45 (8744): app exit status: 0x16
18:55:45 (8744): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 529565 bytes.
Dumping objects ->
{1634} normal block at 0x0000027A42BB7430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1623} normal block at 0x0000027A42BB7900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1612} normal block at 0x0000027A42BB7740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1601} normal block at 0x0000027A42BB79E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1590} normal block at 0x0000027A42BB74A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1559} normal block at 0x0000027A42B9FAC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1548} normal block at 0x0000027A42B9C930, 85 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) : {1545} normal block at 0x0000027A42BB8030, 8 bytes long.
 Data: <   Cz   > 00 00 00 43 7A 02 00 00 
{917} normal block at 0x0000027A42B9BD20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{310} normal block at 0x0000027A42BB8210, 8 bytes long.
 Data: <   Bz   > B0 8F BB 42 7A 02 00 00 
{301} normal block at 0x0000027A42BA72D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000027A42BB8490, 16 bytes long.
 Data: <   Bz           > B8 8E BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027A42BB80D0, 16 bytes long.
 Data: <   Bz           > 90 8E BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027A42BAFEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000027A42BB8170, 16 bytes long.
 Data: <h  Bz           > 68 8E BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027A42BB7C20, 16 bytes long.
 Data: <@  Bz           > 40 8E BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027A42BB84E0, 16 bytes long.
 Data: <   Bz           > 18 8E BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027A42BB7F40, 16 bytes long.
 Data: <   Bz           > F0 8D BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027A42BB73C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000027A42BB7FE0, 16 bytes long.
 Data: <   Bz           > B8 BC B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027A42BAFB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000027A42BB8670, 16 bytes long.
 Data: <   Bz           > 90 BC B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027A42BB8300, 16 bytes long.
 Data: <h  Bz           > 68 BC B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027A42BB7F90, 16 bytes long.
 Data: <@  Bz           > 40 BC B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027A42BB7EF0, 16 bytes long.
 Data: <   Bz           > 18 BC B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027A42BB8440, 16 bytes long.
 Data: <   Bz           > F0 BB B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027A42BB88A0, 16 bytes long.
 Data: <   Bz           > C8 BB B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027A42BB00A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000027A42BB83F0, 16 bytes long.
 Data: <   Bz           > A0 BB B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027A42B9BBA0, 320 bytes long.
 Data: <   Bz      Bz   > F0 83 BB 42 7A 02 00 00 A0 00 BB 42 7A 02 00 00 
{280} normal block at 0x0000027A42BB81C0, 16 bytes long.
 Data: <   Bz           > D0 8D BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027A42BB7E50, 16 bytes long.
 Data: <   Bz           > A8 8D BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027A42BAFCE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000027A42BB7EA0, 16 bytes long.
 Data: <   Bz           > 80 8D BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027A42BAF980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000027A42BB7E00, 16 bytes long.
 Data: <   Bz           > C8 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027A42BB7DB0, 16 bytes long.
 Data: <   Bz           > A0 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027A42BB83A0, 16 bytes long.
 Data: <x  Bz           > 78 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027A42BB7CC0, 16 bytes long.
 Data: <P  Bz           > 50 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027A42BB7D60, 16 bytes long.
 Data: <(  Bz           > 28 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027A42BB8AD0, 16 bytes long.
 Data: <   Bz           > 00 8C BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027A42BB7C70, 16 bytes long.
 Data: < v Bz           > D0 76 BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027A42BB76D0, 40 bytes long.
 Data: <p| Bz      Bz   > 70 7C BB 42 7A 02 00 00 C0 FA B9 42 7A 02 00 00 
{266} normal block at 0x0000027A42BB8260, 16 bytes long.
 Data: <   Bz           > E0 8B BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027A42BB85D0, 16 bytes long.
 Data: <   Bz           > B8 8B BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027A42BB0040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000027A42BB7BD0, 16 bytes long.
 Data: <   Bz           > 90 8B BB 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027A42BB8B90, 992 bytes long.
 Data: < { Bz   @  Bz   > D0 7B BB 42 7A 02 00 00 40 00 BB 42 7A 02 00 00 
{98} normal block at 0x0000027A42BAFE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000027A42BAE1D0, 16 bytes long.
 Data: <   Bz           > C0 C8 B9 42 7A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000027A42B9C8C0, 40 bytes long.
 Data: <   Bz   `  Bz   > D0 E1 BA 42 7A 02 00 00 60 FE BA 42 7A 02 00 00 
{75} normal block at 0x0000027A42BADB40, 16 bytes long.
 Data: <                > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027A42BADAF0, 16 bytes long.
 Data: <@               > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027A42BADE10, 16 bytes long.
 Data: < W              > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027A42BAE630, 16 bytes long.
 Data: < W              > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027A42BAE720, 16 bytes long.
 Data: <P               > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027A42BADBE0, 16 bytes long.
 Data: <0               > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027A42BADAA0, 16 bytes long.
 Data: <                > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027A42BAE770, 16 bytes long.
 Data: <                > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027A42BAE4A0, 16 bytes long.
 Data: <p               > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027A42BAE130, 16 bytes long.
 Data: <                > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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