Task 38677722

Name test_1880-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2441_5
Workunit 31605470
Created 26 Oct 2026, 15:12:21 UTC
Sent 26 Oct 2026, 15:12:26 UTC
Report deadline 31 Oct 2026, 15:12:26 UTC
Received 26 Oct 2026, 15:15:06 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 616901
Run time 1 min 58 sec
CPU time 12 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 308.81 MB
Peak swap size 12.15 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���������� ������� �� ����� �������� (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:14:03 (9140): wrapper (7.9.26016): starting
18:14:03 (9140): 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
18:14:04 (9140): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:14:04 (9140): 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'
18:14:43 (9140): C:/Windows/system32/cmd.exe exited; CPU time 12.828125
18:14:43 (9140): app exit status: 0x16
18:14:43 (9140): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 719481 bytes.
Dumping objects ->
{3835298} normal block at 0x000001C53E3EC920, 48 bytes long.
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{3835287} normal block at 0x000001C53E3ECF40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001C53E3ECD80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835265} normal block at 0x000001C53E3ECED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001C53C735210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835223} normal block at 0x000001C53E435530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001C53C78D0E0, 140 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) : {3835209} normal block at 0x000001C53C72D510, 8 bytes long.
 Data: <  &#179;<&#197;   > 00 00 B3 3C C5 01 00 00 
{3834580} normal block at 0x000001C53C78C650, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C53C72E000, 8 bytes long.
 Data: <&#192;eI>&#197;   > C0 65 49 3E C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C53C7315D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C53C726EB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C53C735D60, 16 bytes long.
 Data: < js<&#197;           > 08 6A 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C53C7359A0, 16 bytes long.
 Data: <&#224;is<&#197;           > E0 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C53C72FCE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C53C736030, 16 bytes long.
 Data: <&#184;is<&#197;           > B8 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C53C735CC0, 16 bytes long.
 Data: < is<&#197;           > 90 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C53C7364E0, 16 bytes long.
 Data: <his<&#197;           > 68 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C53C735950, 16 bytes long.
 Data: <@is<&#197;           > 40 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C53C734FE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C53C735A90, 16 bytes long.
 Data: <&#168;&#183;q<&#197;           > A8 B7 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C53C72F7A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C53C735C70, 16 bytes long.
 Data: < &#183;q<&#197;           > 80 B7 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C53C735900, 16 bytes long.
 Data: <X&#183;q<&#197;           > 58 B7 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C53C736490, 16 bytes long.
 Data: <0&#183;q<&#197;           > 30 B7 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C53C7362B0, 16 bytes long.
 Data: < &#183;q<&#197;           > 08 B7 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C53C7358B0, 16 bytes long.
 Data: <&#224;&#182;q<&#197;           > E0 B6 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C53C735C20, 16 bytes long.
 Data: <&#184;&#182;q<&#197;           > B8 B6 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C53C72F620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C53C7357C0, 16 bytes long.
 Data: < &#182;q<&#197;           > 90 B6 71 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C53C71B690, 320 bytes long.
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{278} normal block at 0x000001C53C736350, 16 bytes long.
 Data: < is<&#197;           > 20 69 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C53C7363A0, 16 bytes long.
 Data: <&#248;hs<&#197;           > F8 68 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C53C72FD40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C53C736170, 16 bytes long.
 Data: <&#208;hs<&#197;           > D0 68 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C53C72F740, 32 bytes long.
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{273} normal block at 0x000001C53C736440, 16 bytes long.
 Data: < hs<&#197;           > 18 68 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C53C735810, 16 bytes long.
 Data: <&#240;gs<&#197;           > F0 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C53C735720, 16 bytes long.
 Data: <&#200;gs<&#197;           > C8 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C53C736620, 16 bytes long.
 Data: <&#160;gs<&#197;           > A0 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C53C735FE0, 16 bytes long.
 Data: <xgs<&#197;           > 78 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C53C736530, 16 bytes long.
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{266} normal block at 0x000001C53C736260, 16 bytes long.
 Data: <&#192;Ps<&#197;           > C0 50 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C53C7350C0, 40 bytes long.
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{264} normal block at 0x000001C53C735BD0, 16 bytes long.
 Data: <0gs<&#197;           > 30 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C53C736210, 16 bytes long.
 Data: < gs<&#197;           > 08 67 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C53C72F380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C53C7363F0, 16 bytes long.
 Data: <&#224;fs<&#197;           > E0 66 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C53C7366E0, 992 bytes long.
 Data: <&#240;cs<&#197;    &#243;r<&#197;   > F0 63 73 3C C5 01 00 00 80 F3 72 3C C5 01 00 00 
{96} normal block at 0x000001C53C72F320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C53C72E1E0, 16 bytes long.
 Data: < Ns<&#197;           > 90 4E 73 3C C5 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C53C734E90, 40 bytes long.
 Data: <&#224;&#225;r<&#197;    &#243;r<&#197;   > E0 E1 72 3C C5 01 00 00 20 F3 72 3C C5 01 00 00 
{73} normal block at 0x000001C53C72D830, 16 bytes long.
 Data: < &#234;gQ&#247;           > 80 EA 67 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C53C72D7E0, 16 bytes long.
 Data: <@&#233;gQ&#247;           > 40 E9 67 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C53C72D330, 16 bytes long.
 Data: <&#248;WdQ&#247;           > F8 57 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C53C72DE70, 16 bytes long.
 Data: <&#216;WdQ&#247;           > D8 57 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C53C72DF10, 16 bytes long.
 Data: <P dQ&#247;           > 50 04 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C53C72DEC0, 16 bytes long.
 Data: <0 dQ&#247;           > 30 04 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C53C72DD30, 16 bytes long.
 Data: <&#224; dQ&#247;           > E0 02 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C53C72D790, 16 bytes long.
 Data: <  dQ&#247;           > 10 04 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C53C72DF60, 16 bytes long.
 Data: <p dQ&#247;           > 70 04 64 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C53C72D380, 16 bytes long.
 Data: < &#192;bQ&#247;           > 18 C0 62 51 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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