Task 38583678

Name HIF2A_A13_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8893_1
Workunit 31545880
Created 14 Dec 2025, 12:53:07 UTC
Sent 14 Dec 2025, 12:53:10 UTC
Report deadline 19 Dec 2025, 12:53:10 UTC
Received 14 Dec 2025, 18:16:54 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648094
Run time 43 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,154.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.11 MB
Peak swap size 38.83 MB
Peak disk usage 2.75 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>
12:16:10 (9124): wrapper (7.9.26016): starting
12:16:10 (9124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A43_0.xml
QB_A13_A43.inpcrd
QB_A13_A43_input.yaml
QB_A13_A43.prmtop
run.bat
run.sh
12:16:11 (9124): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:16:11 (9124): 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.
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\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 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\0\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\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 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  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 'nreplicas'
12:16:19 (9124): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
12:16:19 (9124): app exit status: 0x16
12:16:19 (9124): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 223467 bytes.
Dumping objects ->
{3835566} normal block at 0x0000020DCE6F2B60, 48 bytes long.
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{3835555} normal block at 0x0000020DCE6F2CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000020DCE6F3180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835533} normal block at 0x0000020DCE6F2BD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835522} normal block at 0x0000020DCE6F3110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835491} normal block at 0x0000020DD0376060, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000020DD03D37C0, 235 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) : {3835477} normal block at 0x0000020DCE6ECF10, 8 bytes long.
 Data: <  k&#206;    > 00 00 6B CE 0D 02 00 00 
{3834701} normal block at 0x0000020DD03D38F0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000020DCE6ED460, 8 bytes long.
 Data: <@3=&#208;    > 40 33 3D D0 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020DCE6E1050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020DCE6E17F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000020DCE6F3F90, 16 bytes long.
 Data: <&#200;Lo&#206;            > C8 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DCE6F3E50, 16 bytes long.
 Data: <&#160;Lo&#206;            > A0 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020DCE6F0970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000020DCE6F3860, 16 bytes long.
 Data: <xLo&#206;            > 78 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DCE6F4120, 16 bytes long.
 Data: <PLo&#206;            > 50 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020DCE6F40D0, 16 bytes long.
 Data: <(Lo&#206;            > 28 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DCE6F38B0, 16 bytes long.
 Data: < Lo&#206;            > 00 4C 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020DCE6DD8D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000020DCE6F3B30, 16 bytes long.
 Data: <&#248;&#238;m&#206;            > F8 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020DCE6F09D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000020DCE6F3F40, 16 bytes long.
 Data: <&#208;&#238;m&#206;            > D0 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020DCE6F3DB0, 16 bytes long.
 Data: <&#168;&#238;m&#206;            > A8 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020DCE6F3D60, 16 bytes long.
 Data: < &#238;m&#206;            > 80 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DCE6F4300, 16 bytes long.
 Data: <X&#238;m&#206;            > 58 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DCE6F41C0, 16 bytes long.
 Data: <0&#238;m&#206;            > 30 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DCE6F3E00, 16 bytes long.
 Data: < &#238;m&#206;            > 08 EE 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020DCE6F0CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000020DCE6F3AE0, 16 bytes long.
 Data: <&#224;&#237;m&#206;            > E0 ED 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020DCE6DEDE0, 320 bytes long.
 Data: <&#224;:o&#206;    &#208; o&#206;    > E0 3A 6F CE 0D 02 00 00 D0 0C 6F CE 0D 02 00 00 
{272} normal block at 0x0000020DCE6F37C0, 16 bytes long.
 Data: <&#224;Ko&#206;            > E0 4B 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DCE6F4490, 16 bytes long.
 Data: <&#184;Ko&#206;            > B8 4B 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020DCE6F0730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000020DCE6F36D0, 16 bytes long.
 Data: < Ko&#206;            > 90 4B 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020DCE6F05B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000020DCE6F3EF0, 16 bytes long.
 Data: <&#216;Jo&#206;            > D8 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DCE6F3D10, 16 bytes long.
 Data: <&#176;Jo&#206;            > B0 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020DCE6F3810, 16 bytes long.
 Data: < Jo&#206;            > 88 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020DCE6F4210, 16 bytes long.
 Data: <`Jo&#206;            > 60 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DCE6F3A90, 16 bytes long.
 Data: <8Jo&#206;            > 38 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020DCE6F4170, 16 bytes long.
 Data: < Jo&#206;            > 10 4A 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DCE6F3EA0, 16 bytes long.
 Data: <&#160;&#194;m&#206;            > A0 C2 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020DCE6DC2A0, 40 bytes long.
 Data: <&#160;>o&#206;    ``7&#208;    > A0 3E 6F CE 0D 02 00 00 60 60 37 D0 0D 02 00 00 
{258} normal block at 0x0000020DCE6F4440, 16 bytes long.
 Data: <&#240;Io&#206;            > F0 49 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020DCE6F43F0, 16 bytes long.
 Data: <&#200;Io&#206;            > C8 49 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020DCE6F0370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000020DCE6F3A40, 16 bytes long.
 Data: <&#160;Io&#206;            > A0 49 6F CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020DCE6F49A0, 992 bytes long.
 Data: <@:o&#206;    p o&#206;    > 40 3A 6F CE 0D 02 00 00 70 03 6F CE 0D 02 00 00 
{90} normal block at 0x0000020DCE6F04F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000020DCE6ECE70, 16 bytes long.
 Data: < &#251;m&#206;            > 10 FB 6D CE 0D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000020DCE6DFB10, 40 bytes long.
 Data: <p&#206;n&#206;    &#240; o&#206;    > 70 CE 6E CE 0D 02 00 00 F0 04 6F CE 0D 02 00 00 
{67} normal block at 0x0000020DCE6ECE20, 16 bytes long.
 Data: < &#234;&#188; &#247;           > 80 EA BC 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020DCE6ED780, 16 bytes long.
 Data: <@&#233;&#188; &#247;           > 40 E9 BC 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020DCE6ED960, 16 bytes long.
 Data: <&#248;W&#185; &#247;           > F8 57 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DCE6ECD30, 16 bytes long.
 Data: <&#216;W&#185; &#247;           > D8 57 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020DCE6ED640, 16 bytes long.
 Data: <P &#185; &#247;           > 50 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020DCE6ED050, 16 bytes long.
 Data: <0 &#185; &#247;           > 30 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020DCE6ED410, 16 bytes long.
 Data: <&#224; &#185; &#247;           > E0 02 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020DCE6ED730, 16 bytes long.
 Data: <  &#185; &#247;           > 10 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020DCE6ED3C0, 16 bytes long.
 Data: <p &#185; &#247;           > 70 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020DCE6ED2D0, 16 bytes long.
 Data: < &#192;&#183; &#247;           > 18 C0 B7 98 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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