Task 38583545

Name HIF2A_A24_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND6241_8
Workunit 31545964
Created 14 Dec 2025, 8:20:23 UTC
Sent 14 Dec 2025, 8:20:30 UTC
Report deadline 19 Dec 2025, 8:20:30 UTC
Received 14 Dec 2025, 8:51:07 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 647912
Run time 1 min 15 sec
CPU time 3 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 1,916.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 22.09 MB
Peak swap size 12.80 MB
Peak disk usage 2.02 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>
00:48:32 (16740): wrapper (7.9.26016): starting
00:48:32 (16740): 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
00:48:33 (16740): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:48:33 (16740): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\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'
00:49:08 (16740): C:/Windows/system32/cmd.exe exited; CPU time 3.484375
00:49:08 (16740): app exit status: 0x16
00:49:08 (16740): 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: 626761 bytes.
Dumping objects ->
{3835179} normal block at 0x000002A98A028310, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000002A98A0287E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000002A98A028770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835146} normal block at 0x000002A98A028A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835135} normal block at 0x000002A98A028F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835104} normal block at 0x000002A989FCC9D0, 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) : {3835091} normal block at 0x000002A988446EC0, 8 bytes long.
 Data: <  &#219;&#137;&#169;   > 00 00 DB 89 A9 02 00 00 
{3833945} normal block at 0x000002A988447320, 8 bytes long.
 Data: <&#224;&#205;G &#169;   > E0 CD 47 88 A9 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002A98844DAF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A988438E70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002A988452270, 16 bytes long.
 Data: < 2E &#169;           > 88 32 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A988452C70, 16 bytes long.
 Data: <`2E &#169;           > 60 32 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A988448780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002A988452C20, 16 bytes long.
 Data: <82E &#169;           > 38 32 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A988452DB0, 16 bytes long.
 Data: < 2E &#169;           > 10 32 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A988452180, 16 bytes long.
 Data: <&#232;1E &#169;           > E8 31 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A988452130, 16 bytes long.
 Data: <&#192;1E &#169;           > C0 31 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A98844CF80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002A988452680, 16 bytes long.
 Data: <8[C &#169;           > 38 5B 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A988448840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002A988452B80, 16 bytes long.
 Data: < [C &#169;           > 10 5B 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A988452590, 16 bytes long.
 Data: <&#232;ZC &#169;           > E8 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A9884524F0, 16 bytes long.
 Data: <&#192;ZC &#169;           > C0 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A988452B30, 16 bytes long.
 Data: < ZC &#169;           > 98 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A988452310, 16 bytes long.
 Data: <pZC &#169;           > 70 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A988452A90, 16 bytes long.
 Data: <HZC &#169;           > 48 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A9884488A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002A9884529F0, 16 bytes long.
 Data: < ZC &#169;           > 20 5A 43 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A988435A20, 320 bytes long.
 Data: <&#240;)E &#169;   &#160; D &#169;   > F0 29 45 88 A9 02 00 00 A0 88 44 88 A9 02 00 00 
{268} normal block at 0x000002A988452450, 16 bytes long.
 Data: <&#160;1E &#169;           > A0 31 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A988452540, 16 bytes long.
 Data: <x1E &#169;           > 78 31 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A9884485A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002A9884529A0, 16 bytes long.
 Data: <P1E &#169;           > 50 31 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A988448C00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002A988452950, 16 bytes long.
 Data: < 0E &#169;           > 98 30 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A9884523B0, 16 bytes long.
 Data: <p0E &#169;           > 70 30 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A988452860, 16 bytes long.
 Data: <H0E &#169;           > 48 30 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A988452D60, 16 bytes long.
 Data: < 0E &#169;           > 20 30 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A988452770, 16 bytes long.
 Data: <&#248;/E &#169;           > F8 2F 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A988452900, 16 bytes long.
 Data: <&#208;/E &#169;           > D0 2F 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A988452720, 16 bytes long.
 Data: < &#203;D &#169;           > 90 CB 44 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002A98844CB90, 40 bytes long.
 Data: < 'E &#169;   &#208;&#201;&#252;&#137;&#169;   > 20 27 45 88 A9 02 00 00 D0 C9 FC 89 A9 02 00 00 
{254} normal block at 0x000002A988452810, 16 bytes long.
 Data: <&#176;/E &#169;           > B0 2F 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A9884520E0, 16 bytes long.
 Data: < /E &#169;           > 88 2F 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002A988448540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002A988451FA0, 16 bytes long.
 Data: <`/E &#169;           > 60 2F 45 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A988452F60, 992 bytes long.
 Data: <&#160; E &#169;   @&#133;D &#169;   > A0 1F 45 88 A9 02 00 00 40 85 44 88 A9 02 00 00 
{86} normal block at 0x000002A988448A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002A988447370, 16 bytes long.
 Data: <&#160;&#206;D &#169;           > A0 CE 44 88 A9 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002A98844CEA0, 40 bytes long.
 Data: <psD &#169;    &#138;D &#169;   > 70 73 44 88 A9 02 00 00 80 8A 44 88 A9 02 00 00 
{63} normal block at 0x000002A988447AF0, 16 bytes long.
 Data: < &#234;A=&#246;           > 80 EA 41 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A9884472D0, 16 bytes long.
 Data: <@&#233;A=&#246;           > 40 E9 41 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A988447B90, 16 bytes long.
 Data: <&#248;W>=&#246;           > F8 57 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A988447280, 16 bytes long.
 Data: <&#216;W>=&#246;           > D8 57 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A988447500, 16 bytes long.
 Data: <P >=&#246;           > 50 04 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A9884471E0, 16 bytes long.
 Data: <0 >=&#246;           > 30 04 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A988447CD0, 16 bytes long.
 Data: <&#224; >=&#246;           > E0 02 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A988447C80, 16 bytes long.
 Data: <  >=&#246;           > 10 04 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A988446F60, 16 bytes long.
 Data: <p >=&#246;           > 70 04 3E 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A988447140, 16 bytes long.
 Data: < &#192;<=&#246;           > 18 C0 3C 3D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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