Task 38678203

Name test_163-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND2144_0
Workunit 31620034
Created 26 Oct 2026, 16:40:47 UTC
Sent 26 Oct 2026, 16:40:52 UTC
Report deadline 31 Oct 2026, 16:40:52 UTC
Received 26 Oct 2026, 18:29:02 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 627058
Run time 1 min 36 sec
CPU time 3 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 243.47 MB
Peak swap size 12.09 GB
Peak disk usage 4.44 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:45:40 (23364): wrapper (7.9.26016): starting
17:45:40 (23364): 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
17:45:41 (23364): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:45:41 (23364): 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\70\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\70\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.
19:25:42 (21456): wrapper (7.9.26016): starting
19:25:42 (21456): 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
19:25:43 (21456): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:25:43 (21456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\70\tmp existe d&#130;j&#133;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\70\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\70\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\70\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\70\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\70\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\70\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
19:25:59 (21456): C:/Windows/system32/cmd.exe exited; CPU time 3.812500
19:25:59 (21456): app exit status: 0x16
19:25:59 (21456): 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: 491107 bytes.
Dumping objects ->
{3850207} normal block at 0x0000022A17B37340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850196} normal block at 0x0000022A17B381B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850185} normal block at 0x0000022A17B37E30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850174} normal block at 0x0000022A17B377A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850163} normal block at 0x0000022A17B37570, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850132} normal block at 0x0000022A17A91370, 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) : {3850119} normal block at 0x0000022A15D11990, 8 bytes long.
 Data: <    *   > 00 00 1D 16 2A 02 00 00 
{3848650} normal block at 0x0000022A15D11F30, 8 bytes long.
 Data: <&#240;y&#182; *   > F0 79 B6 17 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022A15D0C4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022A15D06870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000022A15D197F0, 16 bytes long.
 Data: <&#184;&#167;&#209; *           > B8 A7 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022A15D19520, 16 bytes long.
 Data: < &#167;&#209; *           > 90 A7 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A15D15AF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000022A15D199D0, 16 bytes long.
 Data: <h&#167;&#209; *           > 68 A7 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A15D19980, 16 bytes long.
 Data: <@&#167;&#209; *           > 40 A7 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A15D197A0, 16 bytes long.
 Data: < &#167;&#209; *           > 18 A7 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A15D19D40, 16 bytes long.
 Data: <&#240;&#166;&#209; *           > F0 A6 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A15D134E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000022A15D1A380, 16 bytes long.
 Data: <&#232;B&#208; *           > E8 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A15D14FB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000022A15D19CF0, 16 bytes long.
 Data: <&#192;B&#208; *           > C0 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A15D1A330, 16 bytes long.
 Data: < B&#208; *           > 98 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022A15D198E0, 16 bytes long.
 Data: <pB&#208; *           > 70 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A15D1A1A0, 16 bytes long.
 Data: <HB&#208; *           > 48 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A15D19AC0, 16 bytes long.
 Data: < B&#208; *           > 20 42 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A15D19CA0, 16 bytes long.
 Data: <&#248;A&#208; *           > F8 41 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A15D157F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000022A15D1A010, 16 bytes long.
 Data: <&#208;A&#208; *           > D0 41 D0 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A15D041D0, 320 bytes long.
 Data: < &#160;&#209; *   &#240;W&#209; *   > 10 A0 D1 15 2A 02 00 00 F0 57 D1 15 2A 02 00 00 
{279} normal block at 0x0000022A15D19660, 16 bytes long.
 Data: <&#208;&#166;&#209; *           > D0 A6 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022A15D1A0B0, 16 bytes long.
 Data: <&#168;&#166;&#209; *           > A8 A6 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A15D14E90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000022A15D19F20, 16 bytes long.
 Data: < &#166;&#209; *           > 80 A6 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A15D15130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000022A15D19C00, 16 bytes long.
 Data: <&#200;&#165;&#209; *           > C8 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A15D1A2E0, 16 bytes long.
 Data: <&#160;&#165;&#209; *           > A0 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A15D1A420, 16 bytes long.
 Data: <x&#165;&#209; *           > 78 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A15D19750, 16 bytes long.
 Data: <P&#165;&#209; *           > 50 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A15D1A060, 16 bytes long.
 Data: <(&#165;&#209; *           > 28 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A15D19890, 16 bytes long.
 Data: < &#165;&#209; *           > 00 A5 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A15D19BB0, 16 bytes long.
 Data: <`8&#209; *           > 60 38 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A15D13860, 40 bytes long.
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{265} normal block at 0x0000022A15D1A100, 16 bytes long.
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{264} normal block at 0x0000022A15D19B10, 16 bytes long.
 Data: <&#184;&#164;&#209; *           > B8 A4 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A15D15A30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000022A15D19FC0, 16 bytes long.
 Data: < &#164;&#209; *           > 90 A4 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A15D1A490, 992 bytes long.
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{97} normal block at 0x0000022A15D154F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000022A15D117B0, 16 bytes long.
 Data: <&#192;5&#209; *           > C0 35 D1 15 2A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022A15D135C0, 40 bytes long.
 Data: <&#176; &#209; *   &#240;T&#209; *   > B0 17 D1 15 2A 02 00 00 F0 54 D1 15 2A 02 00 00 
{74} normal block at 0x0000022A15D126B0, 16 bytes long.
 Data: < &#234;&#243;O&#247;           > 80 EA F3 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022A15D125C0, 16 bytes long.
 Data: <@&#233;&#243;O&#247;           > 40 E9 F3 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022A15D12430, 16 bytes long.
 Data: <&#248;W&#240;O&#247;           > F8 57 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022A15D122A0, 16 bytes long.
 Data: <&#216;W&#240;O&#247;           > D8 57 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A15D122F0, 16 bytes long.
 Data: <P &#240;O&#247;           > 50 04 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A15D11DA0, 16 bytes long.
 Data: <0 &#240;O&#247;           > 30 04 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A15D11940, 16 bytes long.
 Data: <&#224; &#240;O&#247;           > E0 02 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A15D12660, 16 bytes long.
 Data: <  &#240;O&#247;           > 10 04 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A15D11A80, 16 bytes long.
 Data: <p &#240;O&#247;           > 70 04 F0 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A15D12200, 16 bytes long.
 Data: < &#192;&#238;O&#247;           > 18 C0 EE 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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