Task 38677967

Name test_1880-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2441_7
Workunit 31605470
Created 26 Oct 2026, 15:59:29 UTC
Sent 26 Oct 2026, 15:59:30 UTC
Report deadline 31 Oct 2026, 15:59:30 UTC
Received 26 Oct 2026, 16:18:48 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609406
Run time 3 min 9 sec
CPU time 24 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 399.05 MB
Peak swap size 9.25 GB
Peak disk usage 2.08 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>
09:15:43 (41164): wrapper (7.9.26016): starting
09:15:43 (41164): 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
09:15:45 (41164): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:15:45 (41164): 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'
09:16:45 (41164): C:/Windows/system32/cmd.exe exited; CPU time 24.046875
09:16:45 (41164): app exit status: 0x16
09:16:45 (41164): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 1155843 bytes.
Dumping objects ->
{3835195} normal block at 0x000001EB6B8207D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001EB6B820BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001EB6B820920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x000001EB6B7D48D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001EB6B7D47F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x000001EB6D5E4E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835107} normal block at 0x000001EB6B7CEB00, 8 bytes long.
 Data: <  &#212;k&#235;   > 00 00 D4 6B EB 01 00 00 
{3833957} normal block at 0x000001EB6B7CEE70, 8 bytes long.
 Data: <&#240;8dm&#235;   > F0 38 64 6D EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EB6B7D0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB6B7C65E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001EB6B7D5DB0, 16 bytes long.
 Data: <&#200;V}k&#235;           > C8 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EB6B7D6760, 16 bytes long.
 Data: <&#160;V}k&#235;           > A0 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB6B7CFD00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001EB6B7D6260, 16 bytes long.
 Data: <xV}k&#235;           > 78 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EB6B7D6710, 16 bytes long.
 Data: <PV}k&#235;           > 50 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB6B7D58B0, 16 bytes long.
 Data: <(V}k&#235;           > 28 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB6B7D6030, 16 bytes long.
 Data: < V}k&#235;           > 00 56 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB6B7D4BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001EB6B7D62B0, 16 bytes long.
 Data: <&#232; |k&#235;           > E8 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EB6B7D04E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001EB6B7D6170, 16 bytes long.
 Data: <&#192; |k&#235;           > C0 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB6B7D5A90, 16 bytes long.
 Data: <  |k&#235;           > 98 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EB6B7D5A40, 16 bytes long.
 Data: <p |k&#235;           > 70 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB6B7D63F0, 16 bytes long.
 Data: <H |k&#235;           > 48 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB6B7D5860, 16 bytes long.
 Data: <  |k&#235;           > 20 8F 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EB6B7D5C20, 16 bytes long.
 Data: <&#248;&#142;|k&#235;           > F8 8E 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB6B7CFF40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001EB6B7D5D10, 16 bytes long.
 Data: <&#208;&#142;|k&#235;           > D0 8E 7C 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB6B7C8ED0, 320 bytes long.
 Data: < ]}k&#235;   @&#255;|k&#235;   > 10 5D 7D 6B EB 01 00 00 40 FF 7C 6B EB 01 00 00 
{274} normal block at 0x000001EB6B7D5BD0, 16 bytes long.
 Data: <&#224;U}k&#235;           > E0 55 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB6B7D5E50, 16 bytes long.
 Data: <&#184;U}k&#235;           > B8 55 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB6B7CF940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001EB6B7D5CC0, 16 bytes long.
 Data: < U}k&#235;           > 90 55 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EB6B7D0420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001EB6B7D5950, 16 bytes long.
 Data: <&#216;T}k&#235;           > D8 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB6B7D5FE0, 16 bytes long.
 Data: <&#176;T}k&#235;           > B0 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB6B7D6210, 16 bytes long.
 Data: < T}k&#235;           > 88 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB6B7D5B80, 16 bytes long.
 Data: <`T}k&#235;           > 60 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB6B7D5D60, 16 bytes long.
 Data: <8T}k&#235;           > 38 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EB6B7CEB50, 16 bytes long.
 Data: < T}k&#235;           > 10 54 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EB6B7CE920, 16 bytes long.
 Data: <`H}k&#235;           > 60 48 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EB6B7D4860, 40 bytes long.
 Data: < &#233;|k&#235;    N^m&#235;   > 20 E9 7C 6B EB 01 00 00 00 4E 5E 6D EB 01 00 00 
{260} normal block at 0x000001EB6B7CF640, 16 bytes long.
 Data: <&#240;S}k&#235;           > F0 53 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EB6B7CE8D0, 16 bytes long.
 Data: <&#200;S}k&#235;           > C8 53 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EB6B7D03C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001EB6B7CF5A0, 16 bytes long.
 Data: <&#160;S}k&#235;           > A0 53 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EB6B7D53A0, 992 bytes long.
 Data: <&#160;&#245;|k&#235;   &#192; }k&#235;   > A0 F5 7C 6B EB 01 00 00 C0 03 7D 6B EB 01 00 00 
{92} normal block at 0x000001EB6B7D0600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001EB6B7CE7E0, 16 bytes long.
 Data: <&#176;I}k&#235;           > B0 49 7D 6B EB 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001EB6B7D49B0, 40 bytes long.
 Data: <&#224;&#231;|k&#235;     }k&#235;   > E0 E7 7C 6B EB 01 00 00 00 06 7D 6B EB 01 00 00 
{69} normal block at 0x000001EB6B7CEAB0, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB6B7CF230, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB6B7CF3C0, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EB6B7CE880, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB6B7CF280, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EB6B7CF500, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EB6B7CEA10, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EB6B7CF1E0, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EB6B7CEA60, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EB6B7CE9C0, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra