Task 38618024

Name HIF2A_2_A04_A06_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND6271_0
Workunit 31569583
Created 18 Apr 2026, 9:14:49 UTC
Sent 18 Apr 2026, 9:14:53 UTC
Report deadline 23 Apr 2026, 9:14:53 UTC
Received 20 Apr 2026, 5:24:00 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 616757
Run time 59 min 13 sec
CPU time 6 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,215.49 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 145.48 MB
Peak swap size 12.00 GB
Peak disk usage 2.88 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:06:43 (5604): wrapper (7.9.26016): starting
16:06:43 (5604): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A06_0.pdb
QB_A04_A06_0.xml
QB_A04_A06.inpcrd
QB_A04_A06_input.yaml
QB_A04_A06.pdb
QB_A04_A06.prmtop
QB_A04_A06_sys.xml
run.bat
run.sh
16:06:44 (5604): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:06:44 (5604): 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\4\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\4\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.
07:21:54 (19156): wrapper (7.9.26016): starting
07:21:54 (19156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A06_0.pdb
QB_A04_A06_0.xml
QB_A04_A06.inpcrd
QB_A04_A06_input.yaml
QB_A04_A06.pdb
QB_A04_A06.prmtop
QB_A04_A06_sys.xml
run.bat
run.sh
07:21:55 (19156): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:21:55 (19156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file C:\ProgramData\BOINC\slots\4\tmp gi&#133; esistente.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\4\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\4\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\4\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\4\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'
07:22:09 (19156): C:/Windows/system32/cmd.exe exited; CPU time 6.765625
07:22:09 (19156): app exit status: 0x16
07:22:09 (19156): 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: 359125 bytes.
Dumping objects ->
{1620} normal block at 0x0000014086D4C480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1609} normal block at 0x0000014086D4C100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1598} normal block at 0x0000014086D4C090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1587} normal block at 0x0000014086D4C330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1576} normal block at 0x0000014086D4C2C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1545} normal block at 0x0000014086D3AE90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1534} normal block at 0x0000014086D4CFF0, 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) : {1531} normal block at 0x0000014086D539B0, 8 bytes long.
 Data: <    @   > 00 00 CB 86 40 01 00 00 
{907} normal block at 0x0000014086D361F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{299} normal block at 0x0000014086D532D0, 8 bytes long.
 Data: < D  @   > D0 44 D5 86 40 01 00 00 
{290} normal block at 0x0000014086D35BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000014086D535A0, 16 bytes long.
 Data: < C  @           > D8 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014086D53AA0, 16 bytes long.
 Data: < C  @           > B0 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014086D4D380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000014086D53140, 16 bytes long.
 Data: < C  @           > 88 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014086D53230, 16 bytes long.
 Data: <`C  @           > 60 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014086D53190, 16 bytes long.
 Data: <8C  @           > 38 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014086D53960, 16 bytes long.
 Data: < C  @           > 10 43 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014086D4C1E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000014086D530F0, 16 bytes long.
 Data: <x[  @           > 78 5B D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014086D4DCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000014086D54040, 16 bytes long.
 Data: <P[  @           > 50 5B D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014086D53BE0, 16 bytes long.
 Data: <([  @           > 28 5B D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014086D53500, 16 bytes long.
 Data: < [  @           > 00 5B D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014086D534B0, 16 bytes long.
 Data: < Z  @           > D8 5A D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014086D53FF0, 16 bytes long.
 Data: < Z  @           > B0 5A D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014086D538C0, 16 bytes long.
 Data: < Z  @           > 88 5A D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014086D4D5C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000014086D53910, 16 bytes long.
 Data: <`Z  @           > 60 5A D3 86 40 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014086D35A60, 320 bytes long.
 Data: < 9  @       @   > 10 39 D5 86 40 01 00 00 C0 D5 D4 86 40 01 00 00 
{269} normal block at 0x0000014086D53EB0, 16 bytes long.
 Data: < B  @           > F0 42 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014086D53D20, 16 bytes long.
 Data: < B  @           > C8 42 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014086D4D7A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000014086D53870, 16 bytes long.
 Data: < B  @           > A0 42 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014086D4DBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000014086D531E0, 16 bytes long.
 Data: < A  @           > E8 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014086D53F00, 16 bytes long.
 Data: < A  @           > C0 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014086D53E60, 16 bytes long.
 Data: < A  @           > 98 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014086D53A00, 16 bytes long.
 Data: <pA  @           > 70 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014086D53730, 16 bytes long.
 Data: <HA  @           > 48 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014086D53CD0, 16 bytes long.
 Data: < A  @           > 20 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014086D53550, 16 bytes long.
 Data: <P   @           > 50 C2 D4 86 40 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014086D4C250, 40 bytes long.
 Data: <P5  @       @   > 50 35 D5 86 40 01 00 00 90 AE D3 86 40 01 00 00 
{255} normal block at 0x0000014086D53280, 16 bytes long.
 Data: < A  @           > 00 41 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014086D53FA0, 16 bytes long.
 Data: < @  @           > D8 40 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000014086D4DAA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000014086D53820, 16 bytes long.
 Data: < @  @           > B0 40 D5 86 40 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000014086D540B0, 992 bytes long.
 Data: < 8  @       @   > 20 38 D5 86 40 01 00 00 A0 DA D4 86 40 01 00 00 
{87} normal block at 0x0000014086D4DA40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000014086D47B60, 16 bytes long.
 Data: <    @           > F0 C4 D4 86 40 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000014086D4C4F0, 40 bytes long.
 Data: <`{  @   @   @   > 60 7B D4 86 40 01 00 00 40 DA D4 86 40 01 00 00 
{64} normal block at 0x0000014086D47D90, 16 bytes long.
 Data: <  hd            > 80 EA 68 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014086D47C50, 16 bytes long.
 Data: <@ hd            > 40 E9 68 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014086D47200, 16 bytes long.
 Data: < Wed            > F8 57 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014086D47750, 16 bytes long.
 Data: < Wed            > D8 57 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014086D472A0, 16 bytes long.
 Data: <P ed            > 50 04 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014086D480B0, 16 bytes long.
 Data: <0 ed            > 30 04 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014086D47840, 16 bytes long.
 Data: <  ed            > E0 02 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014086D479D0, 16 bytes long.
 Data: <  ed            > 10 04 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014086D47FC0, 16 bytes long.
 Data: <p ed            > 70 04 65 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000014086D477F0, 16 bytes long.
 Data: <  cd            > 18 C0 63 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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