Task 38665941

Name test_861-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4662_0
Workunit 31608978
Created 25 Oct 2026, 1:48:27 UTC
Sent 25 Oct 2026, 3:17:13 UTC
Report deadline 30 Oct 2026, 3:17:13 UTC
Received 25 Oct 2026, 3:26:50 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654255
Run time 44 sec
CPU time 25 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 700.48 MB
Peak swap size 5.35 GB
Peak disk usage 2.82 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>
04:20:57 (35352): wrapper (7.9.26016): starting
04:20:57 (35352): 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
04:20:59 (35352): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:20:59 (35352): 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 0x000002B1B008E7B0, 8 bytes long.
 Data: <        > 00 00 02 B0 B1 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002B1B1DC4770, 1080 bytes long.
 Data: <<P              > 3C 50 00 00 CD CD CD CD BC 00 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002B1B00920D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
04:24:22 (5816): wrapper (7.9.26016): starting
04:24:22 (5816): 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'
04:25:05 (5816): C:/Windows/system32/cmd.exe exited; CPU time 25.703125
04:25:05 (5816): app exit status: 0x16
04:25:05 (5816): 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: 898629 bytes.
Dumping objects ->
{1634} normal block at 0x000002EE089F5860, 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 0x000002EE089F5390, 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 0x000002EE089F5780, 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 0x000002EE089F5630, 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 0x000002EE089F5A90, 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 0x000002EE089DFAC0, 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 0x000002EE089DC930, 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 0x000002EE089F6E00, 8 bytes long.
 Data: <        > 00 00 F4 08 EE 02 00 00 
{917} normal block at 0x000002EE089DBD20, 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 0x000002EE089F6040, 8 bytes long.
 Data: < s      > 80 73 9F 08 EE 02 00 00 
{301} normal block at 0x000002EE089E68F0, 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 0x000002EE089F6DB0, 16 bytes long.
 Data: < r              > 88 72 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002EE089F6770, 16 bytes long.
 Data: <`r              > 60 72 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002EE089F0800, 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 0x000002EE089F6270, 16 bytes long.
 Data: <8r              > 38 72 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002EE089F6D60, 16 bytes long.
 Data: < r              > 10 72 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EE089F6B80, 16 bytes long.
 Data: < q              > E8 71 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EE089F6A40, 16 bytes long.
 Data: < q              > C0 71 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002EE089F54E0, 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 0x000002EE089F60E0, 16 bytes long.
 Data: <                > B8 BC 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EE089F04A0, 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 0x000002EE089F6B30, 16 bytes long.
 Data: <                > 90 BC 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002EE089F6630, 16 bytes long.
 Data: <h               > 68 BC 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EE089F65E0, 16 bytes long.
 Data: <@               > 40 BC 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002EE089F69F0, 16 bytes long.
 Data: <                > 18 BC 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EE089F63B0, 16 bytes long.
 Data: <                > F0 BB 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EE089F6A90, 16 bytes long.
 Data: <                > C8 BB 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EE089F0380, 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 0x000002EE089F6720, 16 bytes long.
 Data: <                > A0 BB 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EE089DBBA0, 320 bytes long.
 Data: < g              > 20 67 9F 08 EE 02 00 00 80 03 9F 08 EE 02 00 00 
{280} normal block at 0x000002EE089F6CC0, 16 bytes long.
 Data: < q              > A0 71 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EE089F5FF0, 16 bytes long.
 Data: <xq              > 78 71 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002EE089F00E0, 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 0x000002EE089F6C70, 16 bytes long.
 Data: <Pq              > 50 71 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002EE089EFAE0, 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 0x000002EE089F6AE0, 16 bytes long.
 Data: < p              > 98 70 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EE089F6130, 16 bytes long.
 Data: <pp              > 70 70 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002EE089F69A0, 16 bytes long.
 Data: <Hp              > 48 70 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EE089F6950, 16 bytes long.
 Data: < p              > 20 70 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002EE089F68B0, 16 bytes long.
 Data: < o              > F8 6F 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EE089F5FA0, 16 bytes long.
 Data: < o              > D0 6F 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EE089F6860, 16 bytes long.
 Data: < U              > C0 55 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EE089F55C0, 40 bytes long.
 Data: <`h              > 60 68 9F 08 EE 02 00 00 C0 FA 9D 08 EE 02 00 00 
{266} normal block at 0x000002EE089F6D10, 16 bytes long.
 Data: < o              > B0 6F 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002EE089F6900, 16 bytes long.
 Data: < o              > 88 6F 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EE089EFCC0, 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 0x000002EE089F6810, 16 bytes long.
 Data: <`o              > 60 6F 9F 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002EE089F6F60, 992 bytes long.
 Data: < h              > 10 68 9F 08 EE 02 00 00 C0 FC 9E 08 EE 02 00 00 
{98} normal block at 0x000002EE089F06E0, 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 0x000002EE089EE030, 16 bytes long.
 Data: <                > C0 C8 9D 08 EE 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002EE089DC8C0, 40 bytes long.
 Data: <0               > 30 E0 9E 08 EE 02 00 00 E0 06 9F 08 EE 02 00 00 
{75} normal block at 0x000002EE089ED950, 16 bytes long.
 Data: <                > 80 EA E8 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002EE089EDEF0, 16 bytes long.
 Data: <@               > 40 E9 E8 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002EE089EE4E0, 16 bytes long.
 Data: < W              > F8 57 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002EE089EDF90, 16 bytes long.
 Data: < W              > D8 57 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002EE089ED900, 16 bytes long.
 Data: <P               > 50 04 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EE089EE7B0, 16 bytes long.
 Data: <0               > 30 04 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EE089EE6C0, 16 bytes long.
 Data: <                > E0 02 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EE089EE170, 16 bytes long.
 Data: <                > 10 04 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EE089EDF40, 16 bytes long.
 Data: <p               > 70 04 E5 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EE089EE760, 16 bytes long.
 Data: <                > 18 C0 E3 EE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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