Task 38581443

Name HIF2A_A13_A43_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7767_1
Workunit 31545878
Created 12 Dec 2025, 10:48:24 UTC
Sent 12 Dec 2025, 10:48:57 UTC
Report deadline 17 Dec 2025, 10:48:57 UTC
Received 12 Dec 2025, 16:11:32 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 619497
Run time 1 min 40 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,905.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 39.50 MB
Peak swap size 27.80 MB
Peak disk usage 1.43 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:09:32 (16704): wrapper (7.9.26016): starting
11:09:32 (16704): 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
11:09:33 (16704): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:09:33 (16704): 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\2\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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\2\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\2\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\2\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'
11:09:53 (16704): C:/Windows/system32/cmd.exe exited; CPU time 2.781250
11:09:53 (16704): app exit status: 0x16
11:09:53 (16704): 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: 306099 bytes.
Dumping objects ->
{3835308} normal block at 0x000002364AE61340, 48 bytes long.
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{3835297} normal block at 0x000002364AE60B60, 48 bytes long.
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{3835286} normal block at 0x000002364AE61810, 48 bytes long.
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{3835275} normal block at 0x000002364AE617A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000002364AE615E0, 48 bytes long.
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{3835233} normal block at 0x000002364B044310, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002364B05CCD0, 102 bytes long.
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..\api\boinc_api.cpp(309) : {3835219} normal block at 0x00000236494E7720, 8 bytes long.
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{3834567} normal block at 0x000002364B05CF90, 102 bytes long.
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{3833953} normal block at 0x00000236494E79A0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000236494F13F0, 260 bytes long.
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{293} normal block at 0x00000236494DCE30, 80 bytes long.
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{290} normal block at 0x00000236494EBFD0, 32 bytes long.
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{289} normal block at 0x00000236494F2390, 16 bytes long.
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{288} normal block at 0x00000236494F24D0, 16 bytes long.
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{287} normal block at 0x00000236494F2340, 16 bytes long.
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{286} normal block at 0x00000236494F22F0, 16 bytes long.
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{285} normal block at 0x00000236494EDB80, 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 0x00000236494F2D90, 16 bytes long.
 Data: <haMI6           > 68 61 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000236494EBF10, 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 0x00000236494F2D40, 16 bytes long.
 Data: <@aMI6           > 40 61 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000236494F2CF0, 16 bytes long.
 Data: < aMI6           > 18 61 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000236494F2C50, 16 bytes long.
 Data: <&#240;`MI6           > F0 60 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236494F2A20, 16 bytes long.
 Data: <&#200;`MI6           > C8 60 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000236494F3150, 16 bytes long.
 Data: <&#160;`MI6           > A0 60 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000236494F30B0, 16 bytes long.
 Data: <x`MI6           > 78 60 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000236494EC690, 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 0x00000236494F2430, 16 bytes long.
 Data: <P`MI6           > 50 60 4D 49 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000236494D6050, 320 bytes long.
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{272} normal block at 0x00000236494F22A0, 16 bytes long.
 Data: < 4OI6           > 00 34 4F 49 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000236494F2930, 16 bytes long.
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{270} normal block at 0x00000236494EBE50, 32 bytes long.
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{269} normal block at 0x00000236494F2C00, 16 bytes long.
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{268} normal block at 0x00000236494ECD50, 32 bytes long.
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{267} normal block at 0x00000236494F2F70, 16 bytes long.
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{266} normal block at 0x00000236494F2B60, 16 bytes long.
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{265} normal block at 0x00000236494F28E0, 16 bytes long.
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{264} normal block at 0x00000236494F2E30, 16 bytes long.
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{263} normal block at 0x00000236494F2B10, 16 bytes long.
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{262} normal block at 0x00000236494F27A0, 16 bytes long.
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{260} normal block at 0x00000236494F2CA0, 16 bytes long.
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{259} normal block at 0x00000236494EDCD0, 40 bytes long.
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{258} normal block at 0x00000236494F2ED0, 16 bytes long.
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{257} normal block at 0x00000236494F2890, 16 bytes long.
 Data: <&#232;1OI6           > E8 31 4F 49 36 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000236494ECCF0, 32 bytes long.
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{255} normal block at 0x00000236494F3060, 16 bytes long.
 Data: <&#192;1OI6           > C0 31 4F 49 36 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000236494F31C0, 992 bytes long.
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{90} normal block at 0x00000236494ECC90, 32 bytes long.
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{89} normal block at 0x00000236494E7270, 16 bytes long.
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{88} normal block at 0x00000236494EDDB0, 40 bytes long.
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{67} normal block at 0x00000236494E7DB0, 16 bytes long.
 Data: < &#234;&#242;&#164;&#247;           > 80 EA F2 A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000236494E7220, 16 bytes long.
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{65} normal block at 0x00000236494E7590, 16 bytes long.
 Data: <&#248;W&#239;&#164;&#247;           > F8 57 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000236494E71D0, 16 bytes long.
 Data: <&#216;W&#239;&#164;&#247;           > D8 57 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000236494E7EA0, 16 bytes long.
 Data: <P &#239;&#164;&#247;           > 50 04 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000236494E7FE0, 16 bytes long.
 Data: <0 &#239;&#164;&#247;           > 30 04 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000236494E7180, 16 bytes long.
 Data: <&#224; &#239;&#164;&#247;           > E0 02 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000236494E7EF0, 16 bytes long.
 Data: <  &#239;&#164;&#247;           > 10 04 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000236494E7450, 16 bytes long.
 Data: <p &#239;&#164;&#247;           > 70 04 EF A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000236494E7F90, 16 bytes long.
 Data: < &#192;&#237;&#164;&#247;           > 18 C0 ED A4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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