Task 38677016

Name	test_512-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7473_0
Workunit	31618903
Created	26 Oct 2026, 13:00:31 UTC
Sent	26 Oct 2026, 13:00:32 UTC
Report deadline	31 Oct 2026, 13:00:32 UTC
Received	27 Oct 2026, 13:02:52 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	641223
Run time	20 min
CPU time	8 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	40,554.03 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	330.62 MB
Peak swap size	6.16 GB
Peak disk usage	4.44 GB
Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:46:25 (26912): wrapper (7.9.26016): starting
07:46:25 (26912): 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
07:46:27 (26912): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:46:27 (26912): 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.
06:00:54 (26956): wrapper (7.9.26016): starting
06:00:54 (26956): 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
06:00:55 (26956): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:00:55 (26956): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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'
06:01:08 (26956): C:/Windows/system32/cmd.exe exited; CPU time 8.375000
06:01:08 (26956): app exit status: 0x16
06:01:08 (26956): 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: 720523 bytes.
Dumping objects ->
{3850945} normal block at 0x00000214CED2ECB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850934} normal block at 0x00000214CED2FB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850923} normal block at 0x00000214CED2F650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850912} normal block at 0x00000214CD166700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850901} normal block at 0x00000214CD166690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850870} normal block at 0x00000214CED76E50, 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) : {3850857} normal block at 0x00000214CD15FE00, 8 bytes long.
 Data: <   &#205;    > 00 00 0E CD 14 02 00 00 
{3848654} normal block at 0x00000214CD15F8B0, 8 bytes long.
 Data: <0~&#224;&#206;    > 30 7E E0 CE 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000214CD158FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000214CD150420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000214CD167BC0, 16 bytes long.
 Data: <&#248;  &#205;            > F8 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000214CD1671C0, 16 bytes long.
 Data: <&#208;  &#205;            > D0 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000214CD162350, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000214CD167530, 16 bytes long.
 Data: <&#168;  &#205;            > A8 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000214CD1674E0, 16 bytes long.
 Data: <   &#205;            > 80 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000214CD167B70, 16 bytes long.
 Data: <X  &#205;            > 58 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000214CD166EA0, 16 bytes long.
 Data: <0  &#205;            > 30 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214CD166230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000214CD167490, 16 bytes long.
 Data: <   &#205;            > 08 12 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214CD1623B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000214CD167300, 16 bytes long.
 Data: <&#224;  &#205;            > E0 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214CD167260, 16 bytes long.
 Data: <&#184;  &#205;            > B8 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214CD167B20, 16 bytes long.
 Data: <   &#205;            > 90 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214CD1679E0, 16 bytes long.
 Data: <h  &#205;            > 68 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214CD166DB0, 16 bytes long.
 Data: <@  &#205;            > 40 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214CD1678F0, 16 bytes long.
 Data: <   &#205;            > 18 11 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214CD162BF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000214CD1678A0, 16 bytes long.
 Data: <&#240;  &#205;            > F0 10 15 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214CD1510F0, 320 bytes long.
 Data: <&#160;x &#205;    &#240;+ &#205;    > A0 78 16 CD 14 02 00 00 F0 2B 16 CD 14 02 00 00 
{281} normal block at 0x00000214CD167AD0, 16 bytes long.
 Data: <   &#205;            > 10 81 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214CD166D60, 16 bytes long.
 Data: <&#232;  &#205;            > E8 80 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214CD162A10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000214CD1673F0, 16 bytes long.
 Data: <&#192;  &#205;            > C0 80 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214CD1626B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000214CD167800, 16 bytes long.
 Data: <   &#205;            > 08 80 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214CD1677B0, 16 bytes long.
 Data: <&#224;  &#205;            > E0 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214CD167440, 16 bytes long.
 Data: <&#184;  &#205;            > B8 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214CD167990, 16 bytes long.
 Data: <   &#205;            > 90 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214CD167710, 16 bytes long.
 Data: <h  &#205;            > 68 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214CD1673A0, 16 bytes long.
 Data: <@  &#205;            > 40 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214CD167350, 16 bytes long.
 Data: <Pa &#205;            > 50 61 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000214CD166150, 40 bytes long.
 Data: <Ps &#205;    Pn&#215;&#206;    > 50 73 16 CD 14 02 00 00 50 6E D7 CE 14 02 00 00 
{267} normal block at 0x00000214CD167120, 16 bytes long.
 Data: <   &#205;            > 20 7F 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214CD167760, 16 bytes long.
 Data: <&#248;~ &#205;            > F8 7E 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214CD1629B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000214CD167A30, 16 bytes long.
 Data: <&#208;~ &#205;            > D0 7E 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214CD167ED0, 992 bytes long.
 Data: <0z &#205;    &#176;) &#205;    > 30 7A 16 CD 14 02 00 00 B0 29 16 CD 14 02 00 00 
{99} normal block at 0x00000214CD162A70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000214CD15FBD0, 16 bytes long.
 Data: <&#192;a &#205;            > C0 61 16 CD 14 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000214CD1661C0, 40 bytes long.
 Data: <&#208;&#251; &#205;    p* &#205;    > D0 FB 15 CD 14 02 00 00 70 2A 16 CD 14 02 00 00 
{76} normal block at 0x00000214CD15F770, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000214CD1603F0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000214CD160300, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000214CD15FFE0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000214CD15FB80, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000214CD15FD60, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000214CD15F7C0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000214CD15FCC0, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000214CD15F720, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214CD15FEF0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>