Task 38583204

Name HIF2A_A24_A43_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND5229_6
Workunit 31545963
Created 13 Dec 2025, 22:22:47 UTC
Sent 13 Dec 2025, 22:22:52 UTC
Report deadline 18 Dec 2025, 22:22:52 UTC
Received 14 Dec 2025, 13:14:27 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 601458
Run time 1 min 44 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 1,134.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 52.77 MB
Peak swap size 36.97 MB
Peak disk usage 1.41 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:12:48 (21480): wrapper (7.9.26016): starting
07:12:48 (21480): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A43_0.xml
QB_A24_A43.inpcrd
QB_A24_A43_input.yaml
QB_A24_A43.prmtop
run.bat
run.sh
07:12:49 (21480): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:12:49 (21480): 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\3\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\3\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.
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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
    self._exit('JOB_TRANSPORT needs to be specified')
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\3\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 'nreplicas'
07:13:05 (21480): C:/Windows/system32/cmd.exe exited; CPU time 1.578125
07:13:05 (21480): app exit status: 0x16
07:13:05 (21480): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 390304 bytes.
Dumping objects ->
{3835202} normal block at 0x0000024EEAF43F10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000024EEAF43EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000024EEAF43DC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000024EEAF43CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000024EEAF43F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000024EECD73160, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835116} normal block at 0x0000024EECD8B860, 85 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) : {3835113} normal block at 0x0000024EEAF3CC30, 8 bytes long.
 Data: <  Z&#235;N   > 00 00 5A EB 4E 02 00 00 
{3834519} normal block at 0x0000024EECD8AA00, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000024EEAF3C5F0, 8 bytes long.
 Data: <&#160; &#216;&#236;N   > A0 90 D8 EC 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024EEAF315E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024EEAF2C200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000024EEAF44840, 16 bytes long.
 Data: < Z&#244;&#234;N           > 88 5A F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024EEAF45600, 16 bytes long.
 Data: <`Z&#244;&#234;N           > 60 5A F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024EEAF40DF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000024EEAF44CA0, 16 bytes long.
 Data: <8Z&#244;&#234;N           > 38 5A F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024EEAF456F0, 16 bytes long.
 Data: < Z&#244;&#234;N           > 10 5A F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024EEAF449D0, 16 bytes long.
 Data: <&#232;Y&#244;&#234;N           > E8 59 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024EEAF45240, 16 bytes long.
 Data: <&#192;Y&#244;&#234;N           > C0 59 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024EEAF441B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000024EEAF44C50, 16 bytes long.
 Data: <&#200; &#243;&#234;N           > C8 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024EEAF40CD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000024EEAF45380, 16 bytes long.
 Data: <&#160; &#243;&#234;N           > A0 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024EEAF45330, 16 bytes long.
 Data: <x &#243;&#234;N           > 78 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024EEAF44B10, 16 bytes long.
 Data: <P &#243;&#234;N           > 50 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024EEAF44D90, 16 bytes long.
 Data: <( &#243;&#234;N           > 28 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024EEAF45010, 16 bytes long.
 Data: <  &#243;&#234;N           > 00 00 F3 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024EEAF44FC0, 16 bytes long.
 Data: <&#216;&#255;&#242;&#234;N           > D8 FF F2 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024EEAF40D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000024EEAF44980, 16 bytes long.
 Data: <&#176;&#255;&#242;&#234;N           > B0 FF F2 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024EEAF2FFB0, 320 bytes long.
 Data: < I&#244;&#234;N     &#244;&#234;N   > 80 49 F4 EA 4E 02 00 00 90 0D F4 EA 4E 02 00 00 
{268} normal block at 0x0000024EEAF45560, 16 bytes long.
 Data: <&#160;Y&#244;&#234;N           > A0 59 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024EEAF44C00, 16 bytes long.
 Data: <xY&#244;&#234;N           > 78 59 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024EEAF40A30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000024EEAF45470, 16 bytes long.
 Data: <PY&#244;&#234;N           > 50 59 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024EEAF40D30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000024EEAF44F70, 16 bytes long.
 Data: < X&#244;&#234;N           > 98 58 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024EEAF44A70, 16 bytes long.
 Data: <pX&#244;&#234;N           > 70 58 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024EEAF44F20, 16 bytes long.
 Data: <HX&#244;&#234;N           > 48 58 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024EEAF456A0, 16 bytes long.
 Data: < X&#244;&#234;N           > 20 58 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024EEAF448E0, 16 bytes long.
 Data: <&#248;W&#244;&#234;N           > F8 57 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024EEAF44890, 16 bytes long.
 Data: <&#208;W&#244;&#234;N           > D0 57 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024EEAF44ED0, 16 bytes long.
 Data: < B&#244;&#234;N           > 90 42 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024EEAF44290, 40 bytes long.
 Data: <&#208;N&#244;&#234;N   `1&#215;&#236;N   > D0 4E F4 EA 4E 02 00 00 60 31 D7 EC 4E 02 00 00 
{254} normal block at 0x0000024EEAF44CF0, 16 bytes long.
 Data: <&#176;W&#244;&#234;N           > B0 57 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024EEAF45150, 16 bytes long.
 Data: < W&#244;&#234;N           > 88 57 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024EEAF40070, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000024EEAF44AC0, 16 bytes long.
 Data: <`W&#244;&#234;N           > 60 57 F4 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000024EEAF45760, 992 bytes long.
 Data: <&#192;J&#244;&#234;N   p &#244;&#234;N   > C0 4A F4 EA 4E 02 00 00 70 00 F4 EA 4E 02 00 00 
{86} normal block at 0x0000024EEAF40850, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000024EEAF3C7D0, 16 bytes long.
 Data: < &#206;&#242;&#234;N           > 20 CE F2 EA 4E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000024EEAF2CE20, 40 bytes long.
 Data: <&#208;&#199;&#243;&#234;N   P &#244;&#234;N   > D0 C7 F3 EA 4E 02 00 00 50 08 F4 EA 4E 02 00 00 
{63} normal block at 0x0000024EEAF3CC80, 16 bytes long.
 Data: < &#234;Eq&#246;           > 80 EA 45 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024EEAF3D040, 16 bytes long.
 Data: <@&#233;Eq&#246;           > 40 E9 45 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024EEAF3CCD0, 16 bytes long.
 Data: <&#248;WBq&#246;           > F8 57 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024EEAF3CFA0, 16 bytes long.
 Data: <&#216;WBq&#246;           > D8 57 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024EEAF3C910, 16 bytes long.
 Data: <P Bq&#246;           > 50 04 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024EEAF3C9B0, 16 bytes long.
 Data: <0 Bq&#246;           > 30 04 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024EEAF3CB40, 16 bytes long.
 Data: <&#224; Bq&#246;           > E0 02 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024EEAF3D2C0, 16 bytes long.
 Data: <  Bq&#246;           > 10 04 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024EEAF3C960, 16 bytes long.
 Data: <p Bq&#246;           > 70 04 42 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024EEAF3C690, 16 bytes long.
 Data: < &#192;@q&#246;           > 18 C0 40 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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