Task 38657408

Name test_578-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5224_0
Workunit 31601062
Created 24 Oct 2026, 11:38:06 UTC
Sent 24 Oct 2026, 11:50:25 UTC
Report deadline 29 Oct 2026, 11:50:25 UTC
Received 24 Oct 2026, 12:33:02 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643341
Run time 5 min 23 sec
CPU time 4 min 28 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.16 MB
Peak swap size 9.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:52:05 (34088): wrapper (7.9.26016): starting
13:52:05 (34088): 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
13:52:06 (34088): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:06 (34088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001E0604CC990, 8 bytes long.
 Data: <  C`    > 00 00 43 60 E0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001E062EA3500, 1080 bytes long.
 Data: <xc      $       > 78 63 00 00 CD CD CD CD 24 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E0604C5FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:08:43 (29984): wrapper (7.9.26016): starting
14:08:43 (29984): 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:\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 'D:\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) : {1460} normal block at 0x000001B7F73743D0, 8 bytes long.
 Data: <        > 00 00 1B F7 B7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001B7F7376280, 1080 bytes long.
 Data: <0       X       > 30 9C 00 00 CD CD CD CD 58 01 00 00 00 00 00 00 
Object dump complete.
14:18:43 (36536): wrapper (7.9.26016): starting
14:18:43 (36536): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1460} normal block at 0x000002842AE14A10, 8 bytes long.
 Data: <   *    > 00 00 D8 2A 84 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002842AE16280, 1080 bytes long.
 Data: <        X       > B4 A3 00 00 CD CD CD CD 58 01 00 00 00 00 00 00 
Object dump complete.
14:20:58 (1076): wrapper (7.9.26016): starting
14:20:58 (1076): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1460} normal block at 0x00000116A3844B50, 8 bytes long.
 Data: <  h     > 00 00 68 A3 16 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000116A3846280, 1080 bytes long.
 Data: <D       X       > 44 20 00 00 CD CD CD CD 58 01 00 00 00 00 00 00 
Object dump complete.
14:22:58 (20564): wrapper (7.9.26016): starting
14:22:58 (20564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1460} normal block at 0x0000024EF0894650, 8 bytes long.
 Data: <  v N   > 00 00 76 F0 4E 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000024EF0896280, 1080 bytes long.
 Data: <        l       > AC A0 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00 
Object dump complete.
14:25:56 (12572): wrapper (7.9.26016): starting
14:25:56 (12572): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1460} normal block at 0x000001FD305E4470, 8 bytes long.
 Data: <  S0    > 00 00 53 30 FD 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001FD305E6280, 1080 bytes long.
 Data: <X}      t       > 58 7D 00 00 CD CD CD CD 74 01 00 00 00 00 00 00 
Object dump complete.
14:28:20 (40396): wrapper (7.9.26016): starting
14:28:20 (40396): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1460} normal block at 0x0000016807CE48D0, 8 bytes long.
 Data: <    h   > 00 00 AD 07 68 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000016807CE6280, 1080 bytes long.
 Data: <h       X       > 68 A2 00 00 CD CD CD CD 58 01 00 00 00 00 00 00 
Object dump complete.
14:31:44 (29340): wrapper (7.9.26016): starting
14:31:44 (29340): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "D:\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 "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "D:\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\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 "D:\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "D:\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 "D:\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'
14:31:54 (29340): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
14:31:54 (29340): app exit status: 0x16
14:31:54 (29340): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 221412 bytes.
Dumping objects ->
{1548} normal block at 0x0000024286CD5EB0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1537} normal block at 0x0000024286CCFED0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1526} normal block at 0x0000024286CD0230, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{1515} normal block at 0x0000024286CCF9F0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{1504} normal block at 0x0000024286CCF930, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{1473} normal block at 0x0000024286CD5F20, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {1460} normal block at 0x0000024286CD43D0, 8 bytes long.
 Data: <    B   > 00 00 C0 86 42 02 00 00 
{306} normal block at 0x0000024286CD4290, 8 bytes long.
 Data: < b  B   > 80 62 CD 86 42 02 00 00 
{297} normal block at 0x0000024286CCEBF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024286CD4470, 16 bytes long.
 Data: <xY  B           > 78 59 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024286CD4650, 16 bytes long.
 Data: <PY  B           > 50 59 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024286CCFD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000024286CD51E0, 16 bytes long.
 Data: <(Y  B           > 28 59 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024286CD50F0, 16 bytes long.
 Data: < Y  B           > 00 59 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024286CD4600, 16 bytes long.
 Data: < X  B           > D8 58 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024286CD46A0, 16 bytes long.
 Data: < X  B           > B0 58 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024286CD5C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024286CD4510, 16 bytes long.
 Data: <8   B           > 38 F0 CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024286CCFA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000024286CD4880, 16 bytes long.
 Data: <    B           > 10 F0 CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024286CD47E0, 16 bytes long.
 Data: <    B           > E8 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024286CD4EC0, 16 bytes long.
 Data: <    B           > C0 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024286CD44C0, 16 bytes long.
 Data: <    B           > 98 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024286CD50A0, 16 bytes long.
 Data: <p   B           > 70 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024286CD42E0, 16 bytes long.
 Data: <H   B           > 48 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024286CD06B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000024286CD5140, 16 bytes long.
 Data: <    B           > 20 EF CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024286CBEF20, 320 bytes long.
 Data: <@Q  B       B   > 40 51 CD 86 42 02 00 00 B0 06 CD 86 42 02 00 00 
{276} normal block at 0x0000024286CD5050, 16 bytes long.
 Data: < X  B           > 90 58 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024286CD4970, 16 bytes long.
 Data: <hX  B           > 68 58 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024286CCFCF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024286CD4B00, 16 bytes long.
 Data: <@X  B           > 40 58 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024286CD0530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000024286CD45B0, 16 bytes long.
 Data: < W  B           > 88 57 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024286CD4920, 16 bytes long.
 Data: <`W  B           > 60 57 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024286CD4BF0, 16 bytes long.
 Data: <8W  B           > 38 57 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024286CD5000, 16 bytes long.
 Data: < W  B           > 10 57 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024286CD4D30, 16 bytes long.
 Data: < V  B           > E8 56 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024286CD4560, 16 bytes long.
 Data: < V  B           > C0 56 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024286CD4DD0, 16 bytes long.
 Data: <p   B           > 70 E3 CC 86 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024286CCE370, 40 bytes long.
 Data: < M  B    _  B   > D0 4D CD 86 42 02 00 00 20 5F CD 86 42 02 00 00 
{262} normal block at 0x0000024286CD4F10, 16 bytes long.
 Data: < V  B           > A0 56 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024286CD4D80, 16 bytes long.
 Data: <xV  B           > 78 56 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024286CD0170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000024286CD4FB0, 16 bytes long.
 Data: <PV  B           > 50 56 CD 86 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024286CD5650, 992 bytes long.
 Data: < O  B   p   B   > B0 4F CD 86 42 02 00 00 70 01 CD 86 42 02 00 00 
{94} normal block at 0x0000024286CCFF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000024286CCD0C0, 16 bytes long.
 Data: <    B           > D0 F3 CB 86 42 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024286CBF3D0, 40 bytes long.
 Data: <    B       B   > C0 D0 CC 86 42 02 00 00 90 FF CC 86 42 02 00 00 
{71} normal block at 0x0000024286CCD7F0, 16 bytes long.
 Data: <                > 80 EA A5 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024286CCCD00, 16 bytes long.
 Data: <@               > 40 E9 A5 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024286CCCA30, 16 bytes long.
 Data: < W              > F8 57 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024286CCCCB0, 16 bytes long.
 Data: < W              > D8 57 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024286CCCC60, 16 bytes long.
 Data: <P               > 50 04 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024286CCD7A0, 16 bytes long.
 Data: <0               > 30 04 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024286CCCC10, 16 bytes long.
 Data: <                > E0 02 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024286CCCD50, 16 bytes long.
 Data: <                > 10 04 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024286CCD2A0, 16 bytes long.
 Data: <p               > 70 04 A2 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024286CCD070, 16 bytes long.
 Data: <                > 18 C0 A0 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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