Task 38583124

Name HIF2A_A02_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND3615_7
Workunit 31545826
Created 13 Dec 2025, 19:56:24 UTC
Sent 13 Dec 2025, 19:56:29 UTC
Report deadline 18 Dec 2025, 19:56:29 UTC
Received 13 Dec 2025, 20:08:40 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 506550
Run time 1 min 6 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 83,073.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 20.55 MB
Peak swap size 11.41 MB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:07:12 (18276): wrapper (7.9.26016): starting
12:07:12 (18276): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A43_0.xml
QB_A02_A43.inpcrd
QB_A02_A43_input.yaml
QB_A02_A43.prmtop
run.bat
run.sh
12:07:13 (18276): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:07:13 (18276): 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\18\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\18\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\18\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\18\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\18\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\18\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'
12:07:25 (18276): C:/Windows/system32/cmd.exe exited; CPU time 0.296875
12:07:25 (18276): app exit status: 0x16
12:07:25 (18276): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 405907 bytes.
Dumping objects ->
{3835310} normal block at 0x000001810A31F7E0, 48 bytes long.
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{3835299} normal block at 0x000001810A31FAF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000001810A31F1C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835277} normal block at 0x00000181085D7640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000181085D7480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835235} normal block at 0x000001810A366230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001810A3805F0, 102 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) : {3835221} normal block at 0x00000181085CFD50, 8 bytes long.
 Data: <  &#166;     > 00 00 A6 08 81 01 00 00 
{3834573} normal block at 0x000001810A380960, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000181085CF2B0, 8 bytes long.
 Data: < &#215;[     > 90 D7 5B 08 81 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000181085C0B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000181085C1B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000181085D79E0, 16 bytes long.
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{294} normal block at 0x00000181085D7DF0, 16 bytes long.
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{293} normal block at 0x00000181085D3950, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000181085D7DA0, 16 bytes long.
 Data: <8&#139;]             > 38 8B 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000181085D7D50, 16 bytes long.
 Data: < &#139;]             > 10 8B 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000181085D8660, 16 bytes long.
 Data: <&#232;&#138;]             > E8 8A 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000181085D7EE0, 16 bytes long.
 Data: <&#192;&#138;]             > C0 8A 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000181085D76B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000181085D7C10, 16 bytes long.
 Data: <&#200; \             > C8 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000181085D2CF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000181085D83E0, 16 bytes long.
 Data: <&#160; \             > A0 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000181085D7990, 16 bytes long.
 Data: <x \             > 78 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000181085D8160, 16 bytes long.
 Data: <P \             > 50 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000181085D7B70, 16 bytes long.
 Data: <( \             > 28 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000181085D8200, 16 bytes long.
 Data: <  \             > 00 07 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000181085D8110, 16 bytes long.
 Data: <&#216; \             > D8 06 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000181085D2DB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000181085D7940, 16 bytes long.
 Data: <&#176; \             > B0 06 5C 08 81 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000181085C06B0, 320 bytes long.
 Data: <@y]     &#176;-]     > 40 79 5D 08 81 01 00 00 B0 2D 5D 08 81 01 00 00 
{275} normal block at 0x00000181085D78F0, 16 bytes long.
 Data: <&#160;&#138;]             > A0 8A 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000181085D8610, 16 bytes long.
 Data: <x&#138;]             > 78 8A 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000181085D3BF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000181085D78A0, 16 bytes long.
 Data: <P&#138;]             > 50 8A 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000181085D34D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000181085D7BC0, 16 bytes long.
 Data: < &#137;]             > 98 89 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000181085D8250, 16 bytes long.
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{268} normal block at 0x00000181085D8520, 16 bytes long.
 Data: <H&#137;]             > 48 89 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000181085D7B20, 16 bytes long.
 Data: < &#137;]             > 20 89 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000181085D7C60, 16 bytes long.
 Data: <&#248; ]             > F8 88 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000181085D84D0, 16 bytes long.
 Data: <&#208; ]             > D0 88 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000181085D85C0, 16 bytes long.
 Data: < w]             > 90 77 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000181085D7790, 40 bytes long.
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{261} normal block at 0x00000181085D8480, 16 bytes long.
 Data: <&#176; ]             > B0 88 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000181085D7AD0, 16 bytes long.
 Data: <  ]             > 88 88 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000181085D3470, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000181085D8070, 16 bytes long.
 Data: <` ]             > 60 88 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000181085D8860, 992 bytes long.
 Data: <p ]     p4]     > 70 80 5D 08 81 01 00 00 70 34 5D 08 81 01 00 00 
{93} normal block at 0x00000181085D3770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000181085CFD00, 16 bytes long.
 Data: <`u]             > 60 75 5D 08 81 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000181085D7560, 40 bytes long.
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{70} normal block at 0x00000181085CF760, 16 bytes long.
 Data: < &#234;&#216;&#194;&#246;           > 80 EA D8 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000181085CFDA0, 16 bytes long.
 Data: <@&#233;&#216;&#194;&#246;           > 40 E9 D8 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000181085CF7B0, 16 bytes long.
 Data: <&#248;W&#213;&#194;&#246;           > F8 57 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000181085CF170, 16 bytes long.
 Data: <&#216;W&#213;&#194;&#246;           > D8 57 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000181085CF620, 16 bytes long.
 Data: <P &#213;&#194;&#246;           > 50 04 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000181085CF260, 16 bytes long.
 Data: <0 &#213;&#194;&#246;           > 30 04 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000181085CFFD0, 16 bytes long.
 Data: <&#224; &#213;&#194;&#246;           > E0 02 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000181085CF3A0, 16 bytes long.
 Data: <  &#213;&#194;&#246;           > 10 04 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000181085CF440, 16 bytes long.
 Data: <p &#213;&#194;&#246;           > 70 04 D5 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000181085CFCB0, 16 bytes long.
 Data: < &#192;&#211;&#194;&#246;           > 18 C0 D3 C2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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