Task 38583184

Name HIF2A_A24_A43_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND5229_4
Workunit 31545963
Created 13 Dec 2025, 21:43:45 UTC
Sent 13 Dec 2025, 21:43:52 UTC
Report deadline 18 Dec 2025, 21:43:52 UTC
Received 13 Dec 2025, 21:54:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 630874
Run time 2 min 34 sec
CPU time 5 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 14,566.65 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 46.41 MB
Peak swap size 32.44 MB
Peak disk usage 2.75 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł� (null) �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:52:45 (25828): wrapper (7.9.26016): starting
06:52:45 (25828): 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
06:52:46 (25828): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:52:46 (25828): 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'
06:53:08 (25828): C:/Windows/system32/cmd.exe exited; CPU time 5.171875
06:53:08 (25828): app exit status: 0x16
06:53:08 (25828): 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: 567141 bytes.
Dumping objects ->
{3835987} normal block at 0x000002599E91CE30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835976} normal block at 0x000002599C8E52A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835965} normal block at 0x000002599C8E5230, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835954} normal block at 0x000002599C8E51C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835943} normal block at 0x000002599C8E5150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835912} normal block at 0x000002599E96C020, 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) : {3835899} normal block at 0x000002599C8DD7B0, 8 bytes long.
 Data: <  &#220; Y   > 00 00 DC 9C 59 02 00 00 
{3834061} normal block at 0x000002599C8DDFD0, 8 bytes long.
 Data: < &#216;  Y   > 90 D8 8C 9C 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002599C8D1470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002599C8D2380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002599C8E68C0, 16 bytes long.
 Data: < n  Y           > 08 6E 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002599C8E67D0, 16 bytes long.
 Data: < m  Y           > E0 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002599C8DF850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002599C8E6780, 16 bytes long.
 Data: <&#184;m  Y           > B8 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002599C8E5DD0, 16 bytes long.
 Data: < m  Y           > 90 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002599C8E5C90, 16 bytes long.
 Data: <hm  Y           > 68 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002599C8E5A60, 16 bytes long.
 Data: <@m  Y           > 40 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002599C8E53F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002599C8E66E0, 16 bytes long.
 Data: < K  Y           > F8 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002599C8DF9D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002599C8E5E20, 16 bytes long.
 Data: <&#208;K  Y           > D0 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002599C8E65A0, 16 bytes long.
 Data: <&#168;K  Y           > A8 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002599C8E6690, 16 bytes long.
 Data: < K  Y           > 80 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002599C8E6230, 16 bytes long.
 Data: <XK  Y           > 58 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002599C8E6320, 16 bytes long.
 Data: <0K  Y           > 30 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002599C8E6550, 16 bytes long.
 Data: < K  Y           > 08 4B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002599C8E0090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002599C8E6730, 16 bytes long.
 Data: < J  Y           > E0 4A 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002599C8E4AE0, 320 bytes long.
 Data: <0g  Y       Y   > 30 67 8E 9C 59 02 00 00 90 00 8E 9C 59 02 00 00 
{277} normal block at 0x000002599C8E5C40, 16 bytes long.
 Data: < m  Y           > 20 6D 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002599C8E65F0, 16 bytes long.
 Data: < l  Y           > F8 6C 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002599C8E0270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002599C8E6500, 16 bytes long.
 Data: <&#208;l  Y           > D0 6C 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002599C8E01B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002599C8E5BF0, 16 bytes long.
 Data: < l  Y           > 18 6C 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002599C8E6640, 16 bytes long.
 Data: < k  Y           > F0 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002599C8E6370, 16 bytes long.
 Data: <&#200;k  Y           > C8 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002599C8E5CE0, 16 bytes long.
 Data: < k  Y           > A0 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002599C8E5EC0, 16 bytes long.
 Data: <xk  Y           > 78 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002599C8E6190, 16 bytes long.
 Data: <Pk  Y           > 50 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002599C8E6870, 16 bytes long.
 Data: < P  Y           > E0 50 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002599C8E50E0, 40 bytes long.
 Data: <ph  Y    &#192;  Y   > 70 68 8E 9C 59 02 00 00 20 C0 96 9E 59 02 00 00 
{263} normal block at 0x000002599C8E6820, 16 bytes long.
 Data: <0k  Y           > 30 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002599C8E5D80, 16 bytes long.
 Data: < k  Y           > 08 6B 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002599C8DF790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002599C8E64B0, 16 bytes long.
 Data: < j  Y           > E0 6A 8E 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002599C8E6AE0, 992 bytes long.
 Data: <&#176;d  Y       Y   > B0 64 8E 9C 59 02 00 00 90 F7 8D 9C 59 02 00 00 
{95} normal block at 0x000002599C8DF910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002599C8DD620, 16 bytes long.
 Data: <&#208;&#182;  Y           > D0 B6 8C 9C 59 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002599C8CB6D0, 40 bytes long.
 Data: < &#214;  Y       Y   > 20 D6 8D 9C 59 02 00 00 10 F9 8D 9C 59 02 00 00 
{70} normal block at 0x000002599C8DDF80, 16 bytes long.
 Data: <  mM            > 80 EA 6D 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002599C8DE0C0, 16 bytes long.
 Data: <@ mM            > 40 E9 6D 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002599C8DDAD0, 16 bytes long.
 Data: < WjM            > F8 57 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002599C8DD760, 16 bytes long.
 Data: <&#216;WjM            > D8 57 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002599C8DD710, 16 bytes long.
 Data: <P jM            > 50 04 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002599C8DD850, 16 bytes long.
 Data: <0 jM            > 30 04 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002599C8DDC60, 16 bytes long.
 Data: <  jM            > E0 02 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002599C8DDA80, 16 bytes long.
 Data: <  jM            > 10 04 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002599C8DDDA0, 16 bytes long.
 Data: <p jM            > 70 04 6A 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002599C8DDA30, 16 bytes long.
 Data: < &#192;hM            > 18 C0 68 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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