Task 38675192

Name test_1880-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2441_1
Workunit 31605470
Created 26 Oct 2026, 7:35:42 UTC
Sent 26 Oct 2026, 7:35:44 UTC
Report deadline 31 Oct 2026, 7:35:44 UTC
Received 26 Oct 2026, 7:40:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 580951
Run time 2 min 18 sec
CPU time 26 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 351.57 MB
Peak swap size 3.18 GB
Peak disk usage 3.00 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
08:37:52 (25048): wrapper (7.9.26016): starting
08:37:52 (25048): 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
08:37:54 (25048): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:37:54 (25048): 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'
08:38:46 (25048): C:/Windows/system32/cmd.exe exited; CPU time 26.218750
08:38:46 (25048): app exit status: 0x16
08:38:46 (25048): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 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: 933153 bytes.
Dumping objects ->
{3835287} normal block at 0x00000173DF050FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x00000173DF050920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000173DF0515D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x00000173DF050DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000173DF051170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x00000173DF154CD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000173DD6FB710, 145 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) : {3835198} normal block at 0x00000173DD6985F0, 8 bytes long.
 Data: <  e&#221;s   > 00 00 65 DD 73 01 00 00 
{3834558} normal block at 0x00000173DD6FBF30, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000173DD698FA0, 8 bytes long.
 Data: <&#224;& &#223;s   > E0 26 1B DF 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000173DD6A26B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000173DD68E160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000173DD6A4320, 16 bytes long.
 Data: <&#216;Ij&#221;s           > D8 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173DD6A3C40, 16 bytes long.
 Data: <&#176;Ij&#221;s           > B0 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000173DD69F620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000173DD6A4280, 16 bytes long.
 Data: < Ij&#221;s           > 88 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000173DD6A3B50, 16 bytes long.
 Data: <`Ij&#221;s           > 60 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000173DD6A3FB0, 16 bytes long.
 Data: <8Ij&#221;s           > 38 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000173DD6A3BA0, 16 bytes long.
 Data: < Ij&#221;s           > 10 49 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000173DD69D670, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000173DD6A42D0, 16 bytes long.
 Data: <(&#199;h&#221;s           > 28 C7 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173DD69F740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000173DD6A41E0, 16 bytes long.
 Data: < &#199;h&#221;s           > 00 C7 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173DD6A45F0, 16 bytes long.
 Data: <&#216;&#198;h&#221;s           > D8 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173DD6A37E0, 16 bytes long.
 Data: <&#176;&#198;h&#221;s           > B0 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000173DD6A45A0, 16 bytes long.
 Data: < &#198;h&#221;s           > 88 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000173DD6A3880, 16 bytes long.
 Data: <`&#198;h&#221;s           > 60 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000173DD6A3B00, 16 bytes long.
 Data: <8&#198;h&#221;s           > 38 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000173DD69EAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000173DD6A40F0, 16 bytes long.
 Data: < &#198;h&#221;s           > 10 C6 68 DD 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000173DD68C610, 320 bytes long.
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{270} normal block at 0x00000173DD6A3F60, 16 bytes long.
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{269} normal block at 0x00000173DD6A4230, 16 bytes long.
 Data: <&#200;Hj&#221;s           > C8 48 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000173DD69EEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000173DD6A4410, 16 bytes long.
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{266} normal block at 0x00000173DD69F0E0, 32 bytes long.
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{265} normal block at 0x00000173DD6A3BF0, 16 bytes long.
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{264} normal block at 0x00000173DD6A4550, 16 bytes long.
 Data: <&#192;Gj&#221;s           > C0 47 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173DD6A40A0, 16 bytes long.
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{262} normal block at 0x00000173DD6A3AB0, 16 bytes long.
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{261} normal block at 0x00000173DD6A36F0, 16 bytes long.
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{260} normal block at 0x00000173DD6A3F10, 16 bytes long.
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{258} normal block at 0x00000173DD6A4500, 16 bytes long.
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{257} normal block at 0x00000173DD69D520, 40 bytes long.
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{256} normal block at 0x00000173DD6A39C0, 16 bytes long.
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{255} normal block at 0x00000173DD6A4190, 16 bytes long.
 Data: <&#216;Fj&#221;s           > D8 46 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000173DD69EE40, 32 bytes long.
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{253} normal block at 0x00000173DD6A4000, 16 bytes long.
 Data: <&#176;Fj&#221;s           > B0 46 6A DD 73 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000173DD6A46B0, 992 bytes long.
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{88} normal block at 0x00000173DD69F380, 32 bytes long.
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{87} normal block at 0x00000173DD699540, 16 bytes long.
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{86} normal block at 0x00000173DD69D830, 40 bytes long.
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{65} normal block at 0x00000173DD6992C0, 16 bytes long.
 Data: < &#234;&#149;L&#246;           > 80 EA 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173DD698C30, 16 bytes long.
 Data: <@&#233;&#149;L&#246;           > 40 E9 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000173DD698AA0, 16 bytes long.
 Data: <&#248;W&#146;L&#246;           > F8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000173DD698E10, 16 bytes long.
 Data: <&#216;W&#146;L&#246;           > D8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000173DD698F50, 16 bytes long.
 Data: <P &#146;L&#246;           > 50 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000173DD698EB0, 16 bytes long.
 Data: <0 &#146;L&#246;           > 30 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000173DD698AF0, 16 bytes long.
 Data: <&#224; &#146;L&#246;           > E0 02 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000173DD698820, 16 bytes long.
 Data: <  &#146;L&#246;           > 10 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000173DD699360, 16 bytes long.
 Data: <p &#146;L&#246;           > 70 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000173DD699270, 16 bytes long.
 Data: < &#192; L&#246;           > 18 C0 90 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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