Task 38679410

Name	test_973-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5087_0
Workunit	31621186
Created	26 Oct 2026, 20:27:44 UTC
Sent	26 Oct 2026, 20:27:48 UTC
Report deadline	31 Oct 2026, 20:27:48 UTC
Received	27 Oct 2026, 4:51:12 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	593978
Run time	9 min 28 sec
CPU time	6 min 31 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	16,492.58 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	695.69 MB
Peak swap size	12.90 GB
Peak disk usage	1.49 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:32:59 (4908): wrapper (7.9.26016): starting
00:32:59 (4908): 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
00:33:01 (4908): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:01 (4908): 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\36\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\36\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) : {3835136} normal block at 0x000001A063296580, 8 bytes long.
 Data: <   d    > 00 00 D0 64 A0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001A064ED5700, 1080 bytes long.
 Data: <,       <       > 2C 0C 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001A0632A1500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
00:48:29 (23456): wrapper (7.9.26016): starting
00:48:29 (23456): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\36\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\36\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\36\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\36\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\36\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\36\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\36\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'
00:49:05 (23456): C:/Windows/system32/cmd.exe exited; CPU time 26.796875
00:49:05 (23456): app exit status: 0x16
00:49:05 (23456): 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: 578396 bytes.
Dumping objects ->
{1574} normal block at 0x000001FF8A4FC830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1563} normal block at 0x000001FF8A4FC7C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1552} normal block at 0x000001FF8A4FCA60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1541} normal block at 0x000001FF8A4FCD00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1530} normal block at 0x000001FF8A4FC980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1499} normal block at 0x000001FF8A4EAFB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1488} normal block at 0x000001FF8A4EAF10, 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) : {1485} normal block at 0x000001FF8A5032B0, 8 bytes long.
 Data: <  K     > 00 00 4B 8A FF 01 00 00 
{882} normal block at 0x000001FF8A5034B0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{302} normal block at 0x000001FF8A502770, 8 bytes long.
 Data: < 9P     > E0 39 50 8A FF 01 00 00 
{293} normal block at 0x000001FF8A4E6300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001FF8A5024F0, 16 bytes long.
 Data: < 8P             > E8 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF8A5030D0, 16 bytes long.
 Data: < 8P             > C0 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF8A4FDBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001FF8A5024A0, 16 bytes long.
 Data: < 8P             > 98 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF8A5025E0, 16 bytes long.
 Data: <p8P             > 70 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF8A503080, 16 bytes long.
 Data: <H8P             > 48 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF8A502810, 16 bytes long.
 Data: < 8P             > 20 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FF8A4FCBB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001FF8A502F90, 16 bytes long.
 Data: <  O             > 08 C6 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF8A4FD1F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001FF8A502F40, 16 bytes long.
 Data: <  O             > E0 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF8A5033A0, 16 bytes long.
 Data: <  O             > B8 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FF8A503260, 16 bytes long.
 Data: <  O             > 90 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF8A502CC0, 16 bytes long.
 Data: <h O             > 68 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF8A5027C0, 16 bytes long.
 Data: <@ O             > 40 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF8A503170, 16 bytes long.
 Data: <  O             > 18 C5 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF8A4FD070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001FF8A502C70, 16 bytes long.
 Data: <  O             > F0 C4 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF8A4FC4F0, 320 bytes long.
 Data: <p,P     p O     > 70 2C 50 8A FF 01 00 00 70 D0 4F 8A FF 01 00 00 
{272} normal block at 0x000001FF8A502C20, 16 bytes long.
 Data: < 8P             > 00 38 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF8A502EA0, 16 bytes long.
 Data: < 7P             > D8 37 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF8A4FD010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001FF8A502E00, 16 bytes long.
 Data: < 7P             > B0 37 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF8A4FD850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001FF8A502720, 16 bytes long.
 Data: < 6P             > F8 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF8A502AE0, 16 bytes long.
 Data: < 6P             > D0 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF8A5026D0, 16 bytes long.
 Data: < 6P             > A8 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FF8A502FE0, 16 bytes long.
 Data: < 6P             > 80 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF8A503030, 16 bytes long.
 Data: <X6P             > 58 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FF8A502A90, 16 bytes long.
 Data: <06P             > 30 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FF8A502EF0, 16 bytes long.
 Data: <  O             > 10 C9 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FF8A4FC910, 40 bytes long.
 Data: < .P       N     > F0 2E 50 8A FF 01 00 00 B0 AF 4E 8A FF 01 00 00 
{258} normal block at 0x000001FF8A5029A0, 16 bytes long.
 Data: < 6P             > 10 36 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FF8A502630, 16 bytes long.
 Data: < 5P             > E8 35 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FF8A4FD730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001FF8A502DB0, 16 bytes long.
 Data: < 5P             > C0 35 50 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FF8A5035C0, 992 bytes long.
 Data: < -P     0 O     > B0 2D 50 8A FF 01 00 00 30 D7 4F 8A FF 01 00 00 
{90} normal block at 0x000001FF8A4FCFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001FF8A4F6F30, 16 bytes long.
 Data: <@ O             > 40 CB 4F 8A FF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001FF8A4FCB40, 40 bytes long.
 Data: <0oO       O     > 30 6F 4F 8A FF 01 00 00 B0 CF 4F 8A FF 01 00 00 
{67} normal block at 0x000001FF8A4F6710, 16 bytes long.
 Data: <                > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF8A4F6A80, 16 bytes long.
 Data: <@               > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF8A4F66C0, 16 bytes long.
 Data: < W              > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FF8A4F6E90, 16 bytes long.
 Data: < W              > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FF8A4F7250, 16 bytes long.
 Data: <P               > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FF8A4F7070, 16 bytes long.
 Data: <0               > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FF8A4F6670, 16 bytes long.
 Data: <                > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FF8A4F6580, 16 bytes long.
 Data: <                > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FF8A4F6DA0, 16 bytes long.
 Data: <p               > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FF8A4F6530, 16 bytes long.
 Data: <                > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>