Task 38628218

Name cdk8_A11_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND7716_5
Workunit 31577795
Created 24 Apr 2026, 16:57:05 UTC
Sent 24 Apr 2026, 16:57:33 UTC
Report deadline 29 Apr 2026, 16:57:33 UTC
Received 25 Apr 2026, 0:32:14 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 637164
Run time 1 min 6 sec
CPU time 8 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,359.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 546.72 MB
Peak swap size 24.43 GB
Peak disk usage 1.60 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
19:30:29 (172648): wrapper (7.9.26016): starting
19:30:29 (172648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A26_0.pdb
QB_A11_A26_0.xml
QB_A11_A26.inpcrd
QB_A11_A26_input.yaml
QB_A11_A26.pdb
QB_A11_A26.prmtop
QB_A11_A26_sys.xml
run.bat
run.sh
19:30:30 (172648): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:30:30 (172648): 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.

bzip2: Data integrity error when decompressing.
	Input file = (stdin), output file = (stdout)

It is possible that the compressed file(s) have become corrupted.
You can use the -tvv option to test integrity of such files.

You can use the `bzip2recover' program to attempt to recover
data from undamaged sections of corrupted files.

tar: Unexpected EOF in archive
tar: Unexpected EOF in archive
tar: Error is not recoverable: exiting now
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 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
    return _openmm.XmlSerializer__deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'z' in node '
		'

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'
19:31:00 (172648): C:/Windows/system32/cmd.exe exited; CPU time 8.593750
19:31:00 (172648): app exit status: 0x16
19:31:00 (172648): 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: 488545 bytes.
Dumping objects ->
{3835319} normal block at 0x00000219AA1880A0, 48 bytes long.
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{3835308} normal block at 0x00000219AA187700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x00000219AA187AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x00000219AA187A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000219AA187310, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x00000219AA1C3140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000219AA14EE00, 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) : {3835230} normal block at 0x00000219A823DCF0, 8 bytes long.
 Data: <  &#140;&#168;    > 00 00 8C A8 19 02 00 00 
{3834578} normal block at 0x00000219AA14ED50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000219A823DB10, 8 bytes long.
 Data: <&#160;H &#170;    > A0 48 1C AA 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000219A8231150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000219A8231A80, 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 0x00000219A8246B90, 16 bytes long.
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{295} normal block at 0x00000219A8246780, 16 bytes long.
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{294} normal block at 0x00000219A8241030, 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 0x00000219A8246AF0, 16 bytes long.
 Data: <H $&#168;            > 48 07 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219A8246AA0, 16 bytes long.
 Data: <  $&#168;            > 20 07 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219A82460F0, 16 bytes long.
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{290} normal block at 0x00000219A8246500, 16 bytes long.
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{289} normal block at 0x00000219A82444F0, 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 0x00000219A82463C0, 16 bytes long.
 Data: <&#168;	$&#168;            > A8 09 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000219A82418D0, 32 bytes long.
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{286} normal block at 0x00000219A8246BE0, 16 bytes long.
 Data: < 	$&#168;            > 80 09 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219A8245F60, 16 bytes long.
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{283} normal block at 0x00000219A8246A50, 16 bytes long.
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{282} normal block at 0x00000219A8245E20, 16 bytes long.
 Data: < 	$&#168;            > 08 09 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219A82460A0, 16 bytes long.
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{280} normal block at 0x00000219A82465F0, 16 bytes long.
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{279} normal block at 0x00000219A82413F0, 32 bytes long.
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{278} normal block at 0x00000219A8245D80, 16 bytes long.
 Data: <  $&#168;            > 90 08 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219A8240890, 320 bytes long.
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{276} normal block at 0x00000219A8246A00, 16 bytes long.
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{275} normal block at 0x00000219A8246730, 16 bytes long.
 Data: <  $&#168;            > 88 06 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219A82410F0, 32 bytes long.
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{273} normal block at 0x00000219A8246050, 16 bytes long.
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{272} normal block at 0x00000219A8240CD0, 32 bytes long.
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{271} normal block at 0x00000219A82464B0, 16 bytes long.
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{270} normal block at 0x00000219A8246280, 16 bytes long.
 Data: <  $&#168;            > 80 05 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219A82467D0, 16 bytes long.
 Data: <X $&#168;            > 58 05 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219A82468C0, 16 bytes long.
 Data: <0 $&#168;            > 30 05 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219A8246820, 16 bytes long.
 Data: <  $&#168;            > 08 05 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000219A8245D30, 16 bytes long.
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{264} normal block at 0x00000219A8246640, 16 bytes long.
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{263} normal block at 0x00000219A8244250, 40 bytes long.
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{262} normal block at 0x00000219A8246960, 16 bytes long.
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{261} normal block at 0x00000219A8246B40, 16 bytes long.
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{260} normal block at 0x00000219A8241630, 32 bytes long.
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{259} normal block at 0x00000219A8246870, 16 bytes long.
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{258} normal block at 0x00000219A8240470, 992 bytes long.
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{94} normal block at 0x00000219A8241450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000219A823DB60, 16 bytes long.
 Data: < G$&#168;            > 90 47 24 A8 19 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000219A8244790, 40 bytes long.
 Data: <`&#219;#&#168;    P $&#168;    > 60 DB 23 A8 19 02 00 00 50 14 24 A8 19 02 00 00 
{71} normal block at 0x00000219A823D200, 16 bytes long.
 Data: < &#234;kg&#246;           > 80 EA 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219A823D570, 16 bytes long.
 Data: <@&#233;kg&#246;           > 40 E9 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219A823D160, 16 bytes long.
 Data: <&#248;Whg&#246;           > F8 57 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219A823D1B0, 16 bytes long.
 Data: <&#216;Whg&#246;           > D8 57 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219A823D980, 16 bytes long.
 Data: <P hg&#246;           > 50 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219A823D840, 16 bytes long.
 Data: <0 hg&#246;           > 30 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219A823D430, 16 bytes long.
 Data: <&#224; hg&#246;           > E0 02 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219A823D340, 16 bytes long.
 Data: <  hg&#246;           > 10 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219A823DA20, 16 bytes long.
 Data: <p hg&#246;           > 70 04 68 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000219A823D2F0, 16 bytes long.
 Data: < &#192;fg&#246;           > 18 C0 66 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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