Task 38583692

Name HIF2A_A24_A43_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND5229_7
Workunit 31545963
Created 14 Dec 2025, 13:14:28 UTC
Sent 14 Dec 2025, 13:14:32 UTC
Report deadline 19 Dec 2025, 13:14:32 UTC
Received 14 Dec 2025, 14:53:29 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648094
Run time 42 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 50.11 MB
Peak swap size 36.86 MB
Peak disk usage 1.52 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>
08:52:57 (16192): wrapper (7.9.26016): starting
08:52:57 (16192): 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
08:52:58 (16192): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:52:58 (16192): 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'
08:53:05 (16192): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
08:53:05 (16192): app exit status: 0x16
08:53:05 (16192): 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: 225275 bytes.
Dumping objects ->
{3835566} normal block at 0x00000238EF463110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835555} normal block at 0x00000238EF462C40, 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 0x00000238EF463180, 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 0x00000238EF4630A0, 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 0x00000238EF462D90, 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 0x00000238F1138460, 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 0x00000238F11937C0, 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 0x00000238EF45D8C0, 8 bytes long.
 Data: <  &#134;&#239;8   > 00 00 86 EF 38 02 00 00 
{3834701} normal block at 0x00000238F11938F0, 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 0x00000238EF45D870, 8 bytes long.
 Data: <@3 &#241;8   > 40 33 19 F1 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000238EF450650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000238EF4519A0, 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 0x00000238EF463AE0, 16 bytes long.
 Data: <&#200;LF&#239;8           > C8 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000238EF463A40, 16 bytes long.
 Data: <&#160;LF&#239;8           > A0 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000238EF460DF0, 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 0x00000238EF464170, 16 bytes long.
 Data: <xLF&#239;8           > 78 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000238EF463E50, 16 bytes long.
 Data: <PLF&#239;8           > 50 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000238EF464120, 16 bytes long.
 Data: <(LF&#239;8           > 28 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000238EF464350, 16 bytes long.
 Data: < LF&#239;8           > 00 4C 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000238EF44D8D0, 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 0x00000238EF4644E0, 16 bytes long.
 Data: <&#248;&#238;D&#239;8           > F8 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000238EF460D90, 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 0x00000238EF463D60, 16 bytes long.
 Data: <&#208;&#238;D&#239;8           > D0 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000238EF4643F0, 16 bytes long.
 Data: <&#168;&#238;D&#239;8           > A8 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000238EF463D10, 16 bytes long.
 Data: < &#238;D&#239;8           > 80 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000238EF463810, 16 bytes long.
 Data: <X&#238;D&#239;8           > 58 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000238EF464300, 16 bytes long.
 Data: <0&#238;D&#239;8           > 30 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000238EF463630, 16 bytes long.
 Data: < &#238;D&#239;8           > 08 EE 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000238EF460C70, 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 0x00000238EF4635E0, 16 bytes long.
 Data: <&#224;&#237;D&#239;8           > E0 ED 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000238EF44EDE0, 320 bytes long.
 Data: <&#224;5F&#239;8   p F&#239;8   > E0 35 46 EF 38 02 00 00 70 0C 46 EF 38 02 00 00 
{272} normal block at 0x00000238EF463C70, 16 bytes long.
 Data: <&#224;KF&#239;8           > E0 4B 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000238EF4636D0, 16 bytes long.
 Data: <&#184;KF&#239;8           > B8 4B 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000238EF4608B0, 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 0x00000238EF4637C0, 16 bytes long.
 Data: < KF&#239;8           > 90 4B 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000238EF460130, 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 0x00000238EF464490, 16 bytes long.
 Data: <&#216;JF&#239;8           > D8 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000238EF4643A0, 16 bytes long.
 Data: <&#176;JF&#239;8           > B0 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000238EF463EA0, 16 bytes long.
 Data: < JF&#239;8           > 88 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000238EF4642B0, 16 bytes long.
 Data: <`JF&#239;8           > 60 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000238EF463C20, 16 bytes long.
 Data: <8JF&#239;8           > 38 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000238EF4639F0, 16 bytes long.
 Data: < JF&#239;8           > 10 4A 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000238EF4640D0, 16 bytes long.
 Data: <&#160;&#194;D&#239;8           > A0 C2 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000238EF44C2A0, 40 bytes long.
 Data: <&#208;@F&#239;8   `&#132; &#241;8   > D0 40 46 EF 38 02 00 00 60 84 13 F1 38 02 00 00 
{258} normal block at 0x00000238EF463720, 16 bytes long.
 Data: <&#240;IF&#239;8           > F0 49 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000238EF464260, 16 bytes long.
 Data: <&#200;IF&#239;8           > C8 49 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000238EF460310, 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 0x00000238EF463E00, 16 bytes long.
 Data: <&#160;IF&#239;8           > A0 49 46 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000238EF4649A0, 992 bytes long.
 Data: < >F&#239;8     F&#239;8   > 00 3E 46 EF 38 02 00 00 10 03 46 EF 38 02 00 00 
{90} normal block at 0x00000238EF460250, 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 0x00000238EF45CFB0, 16 bytes long.
 Data: < &#251;D&#239;8           > 10 FB 44 EF 38 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000238EF44FB10, 40 bytes long.
 Data: <&#176;&#207;E&#239;8   P F&#239;8   > B0 CF 45 EF 38 02 00 00 50 02 46 EF 38 02 00 00 
{67} normal block at 0x00000238EF45D690, 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 0x00000238EF45D820, 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 0x00000238EF45D7D0, 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 0x00000238EF45D320, 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 0x00000238EF45D460, 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 0x00000238EF45CF60, 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 0x00000238EF45D780, 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 0x00000238EF45D640, 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 0x00000238EF45D910, 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 0x00000238EF45CBF0, 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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