Task 38675048

Name test_792-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6448_0
Workunit 31617046
Created 26 Oct 2026, 7:05:53 UTC
Sent 26 Oct 2026, 7:05:58 UTC
Report deadline 31 Oct 2026, 7:05:58 UTC
Received 26 Oct 2026, 15:01:37 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 582876
Run time 9 min 25 sec
CPU time 7 min 27 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.77 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:08:58 (11760): wrapper (7.9.26016): starting
08:08:58 (11760): 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
08:09:00 (11760): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:09:00 (11760): 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 'D:\ProgramData\BOINC\slots\2\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:\ProgramData\BOINC\slots\2\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.
15:59:09 (27336): wrapper (7.9.26016): starting
15:59:09 (27336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "D:\ProgramData\BOINC\slots\2\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 "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\2\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 "D:\ProgramData\BOINC\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "D:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "D:\ProgramData\BOINC\slots\2\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'
15:59:30 (27336): C:/Windows/system32/cmd.exe exited; CPU time 12.796875
15:59:30 (27336): app exit status: 0x16
15:59:30 (27336): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 441410 bytes.
Dumping objects ->
{1620} normal block at 0x000001D038684980, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1609} normal block at 0x000001D038684910, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1598} normal block at 0x000001D038684670, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1587} normal block at 0x000001D0386847C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1576} normal block at 0x000001D038684AD0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{1545} normal block at 0x000001D03866B180, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1534} normal block at 0x000001D03866E150, 102 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) : {1531} normal block at 0x000001D038685240, 8 bytes long.
 Data: <   8    > 00 00 B1 38 D0 01 00 00 
{909} normal block at 0x000001D03866F720, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{304} normal block at 0x000001D038685830, 8 bytes long.
 Data: < eh8    > 80 65 68 38 D0 01 00 00 
{295} normal block at 0x000001D038676920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D038685D80, 16 bytes long.
 Data: < dh8            > 88 64 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0386852E0, 16 bytes long.
 Data: <`dh8            > 60 64 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D03867ECE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D038685290, 16 bytes long.
 Data: <8dh8            > 38 64 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0386857E0, 16 bytes long.
 Data: < dh8            > 10 64 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D038685510, 16 bytes long.
 Data: < ch8            > E8 63 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D038685470, 16 bytes long.
 Data: < ch8            > C0 63 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D038684BB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D038685B50, 16 bytes long.
 Data: <  f8            > 18 B1 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D03867EF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D038685BA0, 16 bytes long.
 Data: <  f8            > F0 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0386856A0, 16 bytes long.
 Data: <  f8            > C8 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D038685A60, 16 bytes long.
 Data: <  f8            > A0 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0386851F0, 16 bytes long.
 Data: <x f8            > 78 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D0386856F0, 16 bytes long.
 Data: <P f8            > 50 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D038685420, 16 bytes long.
 Data: <( f8            > 28 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D03867F700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D0386851A0, 16 bytes long.
 Data: <  f8            > 00 B0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D03866B000, 320 bytes long.
 Data: < Qh8      g8    > A0 51 68 38 D0 01 00 00 00 F7 67 38 D0 01 00 00 
{274} normal block at 0x000001D038686050, 16 bytes long.
 Data: < ch8            > A0 63 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0386854C0, 16 bytes long.
 Data: <xch8            > 78 63 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D03867F400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D0386859C0, 16 bytes long.
 Data: <Pch8            > 50 63 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D03867F880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D038685650, 16 bytes long.
 Data: < bh8            > 98 62 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0386860F0, 16 bytes long.
 Data: <pbh8            > 70 62 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0386853D0, 16 bytes long.
 Data: <Hbh8            > 48 62 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D0386860A0, 16 bytes long.
 Data: < bh8            > 20 62 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D038685380, 16 bytes long.
 Data: < ah8            > F8 61 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D038685740, 16 bytes long.
 Data: < ah8            > D0 61 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D038685790, 16 bytes long.
 Data: < Fh8            > 00 46 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D038684600, 40 bytes long.
 Data: < Wh8      f8    > 90 57 68 38 D0 01 00 00 80 B1 66 38 D0 01 00 00 
{260} normal block at 0x000001D038686000, 16 bytes long.
 Data: < ah8            > B0 61 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D038685600, 16 bytes long.
 Data: < ah8            > 88 61 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D03867EC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D038685DD0, 16 bytes long.
 Data: <`ah8            > 60 61 68 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D038686160, 992 bytes long.
 Data: < ]h8      g8    > D0 5D 68 38 D0 01 00 00 80 EC 67 38 D0 01 00 00 
{92} normal block at 0x000001D03867EFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D03867DF10, 16 bytes long.
 Data: <  f8            > E0 E0 66 38 D0 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D03866E0E0, 40 bytes long.
 Data: <  g8      g8    > 10 DF 67 38 D0 01 00 00 E0 EF 67 38 D0 01 00 00 
{69} normal block at 0x000001D03867D9C0, 16 bytes long.
 Data: <   d            > 80 EA 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D03867D100, 16 bytes long.
 Data: <@  d            > 40 E9 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D03867D920, 16 bytes long.
 Data: < W d            > F8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D03867DEC0, 16 bytes long.
 Data: < W d            > D8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D03867D380, 16 bytes long.
 Data: <P  d            > 50 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D03867D330, 16 bytes long.
 Data: <0  d            > 30 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D03867DB50, 16 bytes long.
 Data: <   d            > E0 02 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D03867DC90, 16 bytes long.
 Data: <   d            > 10 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D03867D600, 16 bytes long.
 Data: <p  d            > 70 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D03867D150, 16 bytes long.
 Data: <   d            > 18 C0 03 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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