Task 38581789

Name HIF2A_A02_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2987_4
Workunit 31545827
Created 12 Dec 2025, 15:07:56 UTC
Sent 12 Dec 2025, 15:08:00 UTC
Report deadline 17 Dec 2025, 15:08:00 UTC
Received 12 Dec 2025, 15:20:29 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 639639
Run time 2 min 35 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,444.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 31.83 MB
Peak swap size 23.03 MB
Peak disk usage 1.43 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>
10:18:59 (9288): wrapper (7.9.26016): starting
10:18:59 (9288): 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
10:19:00 (9288): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:19:00 (9288): 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'
10:19:20 (9288): C:/Windows/system32/cmd.exe exited; CPU time 0.593750
10:19:20 (9288): app exit status: 0x16
10:19:20 (9288): 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: 299651 bytes.
Dumping objects ->
{3835190} normal block at 0x0000023DC45D08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000023DC45D0BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x0000023DC45D0AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835157} normal block at 0x0000023DC45D1100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x0000023DC45D0B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835115} normal block at 0x0000023DC467E1C0, 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) : {3835102} normal block at 0x0000023DC2BC7BD0, 8 bytes long.
 Data: <  ~&#196;=   > 00 00 7E C4 3D 02 00 00 
{3833951} normal block at 0x0000023DC2BC7310, 8 bytes long.
 Data: <&#176; j&#196;=   > B0 20 6A C4 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023DC2BD2C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023DC2BD3D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000023DC2BD43A0, 16 bytes long.
 Data: <&#168;b&#189;&#194;=           > A8 62 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023DC2BD4B70, 16 bytes long.
 Data: < b&#189;&#194;=           > 80 62 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023DC2BCDBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000023DC2BD49E0, 16 bytes long.
 Data: <Xb&#189;&#194;=           > 58 62 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023DC2BD4120, 16 bytes long.
 Data: <0b&#189;&#194;=           > 30 62 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023DC2BD4760, 16 bytes long.
 Data: < b&#189;&#194;=           > 08 62 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023DC2BD4710, 16 bytes long.
 Data: <&#224;a&#189;&#194;=           > E0 61 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023DC2BCC1B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000023DC2BD4D50, 16 bytes long.
 Data: < <&#189;&#194;=           > 98 3C BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023DC2BCD440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000023DC2BD4530, 16 bytes long.
 Data: <p<&#189;&#194;=           > 70 3C BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023DC2BD4AD0, 16 bytes long.
 Data: <H<&#189;&#194;=           > 48 3C BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023DC2BD42B0, 16 bytes long.
 Data: < <&#189;&#194;=           > 20 3C BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023DC2BD4080, 16 bytes long.
 Data: <&#248;;&#189;&#194;=           > F8 3B BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023DC2BD48A0, 16 bytes long.
 Data: <&#208;;&#189;&#194;=           > D0 3B BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023DC2BD4850, 16 bytes long.
 Data: <&#168;;&#189;&#194;=           > A8 3B BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023DC2BCD200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000023DC2BD4260, 16 bytes long.
 Data: < ;&#189;&#194;=           > 80 3B BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023DC2BD3B80, 320 bytes long.
 Data: <`B&#189;&#194;=    &#210;&#188;&#194;=   > 60 42 BD C2 3D 02 00 00 00 D2 BC C2 3D 02 00 00 
{271} normal block at 0x0000023DC2BD46C0, 16 bytes long.
 Data: <&#192;a&#189;&#194;=           > C0 61 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023DC2BD45D0, 16 bytes long.
 Data: < a&#189;&#194;=           > 98 61 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023DC2BCD140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000023DC2BD4440, 16 bytes long.
 Data: <pa&#189;&#194;=           > 70 61 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023DC2BCDCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000023DC2BD4350, 16 bytes long.
 Data: <&#184;`&#189;&#194;=           > B8 60 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023DC2BD4B20, 16 bytes long.
 Data: < `&#189;&#194;=           > 90 60 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023DC2BD43F0, 16 bytes long.
 Data: <h`&#189;&#194;=           > 68 60 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023DC2BD3FE0, 16 bytes long.
 Data: <@`&#189;&#194;=           > 40 60 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023DC2BD4210, 16 bytes long.
 Data: < `&#189;&#194;=           > 18 60 BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023DC2BD41C0, 16 bytes long.
 Data: <&#240;_&#189;&#194;=           > F0 5F BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023DC2BD4990, 16 bytes long.
 Data: < &#194;&#188;&#194;=           > 90 C2 BC C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023DC2BCC290, 40 bytes long.
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{257} normal block at 0x0000023DC2BD4670, 16 bytes long.
 Data: <&#208;_&#189;&#194;=           > D0 5F BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023DC2BD4940, 16 bytes long.
 Data: <&#168;_&#189;&#194;=           > A8 5F BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023DC2BCD8C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000023DC2BD4800, 16 bytes long.
 Data: < _&#189;&#194;=           > 80 5F BD C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023DC2BD5F80, 992 bytes long.
 Data: < H&#189;&#194;=   &#192;&#216;&#188;&#194;=   > 00 48 BD C2 3D 02 00 00 C0 D8 BC C2 3D 02 00 00 
{89} normal block at 0x0000023DC2BCD5C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000023DC2BC7590, 16 bytes long.
 Data: < &#191;&#188;&#194;=           > 80 BF BC C2 3D 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000023DC2BCBF80, 40 bytes long.
 Data: < u&#188;&#194;=   &#192;&#213;&#188;&#194;=   > 90 75 BC C2 3D 02 00 00 C0 D5 BC C2 3D 02 00 00 
{66} normal block at 0x0000023DC2BC7900, 16 bytes long.
 Data: < &#234;Z&#203;&#246;           > 80 EA 5A CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023DC2BC71D0, 16 bytes long.
 Data: <@&#233;Z&#203;&#246;           > 40 E9 5A CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023DC2BC7A90, 16 bytes long.
 Data: <&#248;WW&#203;&#246;           > F8 57 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023DC2BC7720, 16 bytes long.
 Data: <&#216;WW&#203;&#246;           > D8 57 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023DC2BC7950, 16 bytes long.
 Data: <P W&#203;&#246;           > 50 04 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023DC2BC7040, 16 bytes long.
 Data: <0 W&#203;&#246;           > 30 04 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023DC2BC77C0, 16 bytes long.
 Data: <&#224; W&#203;&#246;           > E0 02 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023DC2BC7270, 16 bytes long.
 Data: <  W&#203;&#246;           > 10 04 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023DC2BC7CC0, 16 bytes long.
 Data: <p W&#203;&#246;           > 70 04 57 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023DC2BC7180, 16 bytes long.
 Data: < &#192;U&#203;&#246;           > 18 C0 55 CB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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