Task 38582032

Name	HIF2A_A24_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4718_6
Workunit	31545962
Created	12 Dec 2025, 19:34:24 UTC
Sent	12 Dec 2025, 19:34:32 UTC
Report deadline	17 Dec 2025, 19:34:32 UTC
Received	12 Dec 2025, 19:40:44 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	644627
Run time	3 min 11 sec
CPU time	4 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,775.77 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	111.05 MB
Peak swap size	7.44 GB
Peak disk usage	2.75 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:37:43 (34088): wrapper (7.9.26016): starting
14:37:43 (34088): 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
14:37:47 (34088): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:37:47 (34088): 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'
14:39:24 (34088): C:/Windows/system32/cmd.exe exited; CPU time 4.078125
14:39:24 (34088): app exit status: 0x16
14:39:24 (34088): 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: 1684743 bytes.
Dumping objects ->
{3835425} normal block at 0x000001701C4A4E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000001701C4A4AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835403} normal block at 0x000001701C4A49D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835392} normal block at 0x000001701C4A4D50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x000001701C4A4DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835350} normal block at 0x000001701E1B9840, 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) : {3835337} normal block at 0x000001701C49D5D0, 8 bytes long.
 Data: <  &#138; p   > 00 00 8A 1C 70 01 00 00 
{3833955} normal block at 0x000001701C49D3F0, 8 bytes long.
 Data: <p&#235;	 p   > 70 EB 09 1E 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001701C491140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001701C492290, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001701C4A5C50, 16 bytes long.
 Data: <XhJ p           > 58 68 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001701C4A5E80, 16 bytes long.
 Data: <0hJ p           > 30 68 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001701C4A0930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001701C4A6060, 16 bytes long.
 Data: < hJ p           > 08 68 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001701C4A57F0, 16 bytes long.
 Data: <&#224;gJ p           > E0 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001701C4A64C0, 16 bytes long.
 Data: <&#184;gJ p           > B8 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001701C4A5CF0, 16 bytes long.
 Data: < gJ p           > 90 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001701C4A4C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001701C4A6380, 16 bytes long.
 Data: <&#248;&#236;H p           > F8 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001701C4A08D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001701C4A5A70, 16 bytes long.
 Data: <&#208;&#236;H p           > D0 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001701C4A5BB0, 16 bytes long.
 Data: <&#168;&#236;H p           > A8 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001701C4A5B10, 16 bytes long.
 Data: < &#236;H p           > 80 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001701C4A6420, 16 bytes long.
 Data: <X&#236;H p           > 58 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001701C4A58E0, 16 bytes long.
 Data: <0&#236;H p           > 30 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001701C4A55C0, 16 bytes long.
 Data: < &#236;H p           > 08 EC 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001701C4A0870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001701C4A61F0, 16 bytes long.
 Data: <&#224;&#235;H p           > E0 EB 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001701C48EBE0, 320 bytes long.
 Data: <&#240;aJ p   p J p   > F0 61 4A 1C 70 01 00 00 70 08 4A 1C 70 01 00 00 
{273} normal block at 0x000001701C4A5E30, 16 bytes long.
 Data: <pgJ p           > 70 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001701C4A5DE0, 16 bytes long.
 Data: <HgJ p           > 48 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001701C4A0A50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001701C4A5570, 16 bytes long.
 Data: < gJ p           > 20 67 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001701C4A13B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001701C4A6010, 16 bytes long.
 Data: <hfJ p           > 68 66 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001701C4A5A20, 16 bytes long.
 Data: <@fJ p           > 40 66 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001701C4A63D0, 16 bytes long.
 Data: < fJ p           > 18 66 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001701C4A5FC0, 16 bytes long.
 Data: <&#240;eJ p           > F0 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001701C4A5F20, 16 bytes long.
 Data: <&#200;eJ p           > C8 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001701C4A59D0, 16 bytes long.
 Data: <&#160;eJ p           > A0 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001701C4A5B60, 16 bytes long.
 Data: < LJ p           > 00 4C 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001701C4A4C00, 40 bytes long.
 Data: <`[J p   @   p   > 60 5B 4A 1C 70 01 00 00 40 98 1B 1E 70 01 00 00 
{259} normal block at 0x000001701C4A5750, 16 bytes long.
 Data: < eJ p           > 80 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001701C4A5700, 16 bytes long.
 Data: <XeJ p           > 58 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001701C4A11D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001701C4A5AC0, 16 bytes long.
 Data: <0eJ p           > 30 65 4A 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001701C4A6530, 992 bytes long.
 Data: <&#192;ZJ p   &#208; J p   > C0 5A 4A 1C 70 01 00 00 D0 11 4A 1C 70 01 00 00 
{91} normal block at 0x000001701C4A0FF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001701C49CFE0, 16 bytes long.
 Data: <P&#227;H p           > 50 E3 48 1C 70 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001701C48E350, 40 bytes long.
 Data: <&#224;&#207;I p   &#240; J p   > E0 CF 49 1C 70 01 00 00 F0 0F 4A 1C 70 01 00 00 
{68} normal block at 0x000001701C49D800, 16 bytes long.
 Data: < &#234;r&#248;&#246;           > 80 EA 72 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001701C49D1C0, 16 bytes long.
 Data: <@&#233;r&#248;&#246;           > 40 E9 72 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001701C49DAD0, 16 bytes long.
 Data: <&#248;Wo&#248;&#246;           > F8 57 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001701C49D080, 16 bytes long.
 Data: <&#216;Wo&#248;&#246;           > D8 57 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001701C49D7B0, 16 bytes long.
 Data: <P o&#248;&#246;           > 50 04 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001701C49DA80, 16 bytes long.
 Data: <0 o&#248;&#246;           > 30 04 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001701C49D580, 16 bytes long.
 Data: <&#224; o&#248;&#246;           > E0 02 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001701C49D8A0, 16 bytes long.
 Data: <  o&#248;&#246;           > 10 04 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001701C49CF90, 16 bytes long.
 Data: <p o&#248;&#246;           > 70 04 6F F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001701C49DA30, 16 bytes long.
 Data: < &#192;m&#248;&#246;           > 18 C0 6D F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>