Task 38583185

Name HIF2A_A02_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND9209_5
Workunit 31545829
Created 13 Dec 2025, 21:45:05 UTC
Sent 13 Dec 2025, 21:45:10 UTC
Report deadline 18 Dec 2025, 21:45:10 UTC
Received 13 Dec 2025, 23:04:47 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 615763
Run time 1 min 47 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 36,254.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 54.73 MB
Peak swap size 39.54 MB
Peak disk usage 1.43 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>
15:02:28 (15772): wrapper (7.9.26016): starting
15:02:28 (15772): 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
15:02:29 (15772): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:02:29 (15772): 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\10\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\10\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\10\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\10\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\10\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\10\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'
15:02:47 (15772): C:/Windows/system32/cmd.exe exited; CPU time 1.015625
15:02:47 (15772): app exit status: 0x16
15:02:47 (15772): 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: 340375 bytes.
Dumping objects ->
{3835333} normal block at 0x0000027668D4FC50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x0000027667094830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x0000027667094AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x0000027667094BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000276670947C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x0000027668D4A440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000027668D5A250, 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) : {3835244} normal block at 0x000002766708DD20, 8 bytes long.
 Data: <   gv   > 00 00 04 67 76 02 00 00 
{3834596} normal block at 0x000002766707BF10, 235 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 0x000002766708DEB0, 8 bytes long.
 Data: < &#213; gv   > 90 D5 07 67 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027667080810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000276670822B0, 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 0x0000027667095400, 16 bytes long.
 Data: <Hf	gv           > 48 66 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027667095770, 16 bytes long.
 Data: < f	gv           > 20 66 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027667091430, 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 0x00000276670955E0, 16 bytes long.
 Data: <&#248;e	gv           > F8 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027667095680, 16 bytes long.
 Data: <&#208;e	gv           > D0 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027667095900, 16 bytes long.
 Data: <&#168;e	gv           > A8 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000276670960D0, 16 bytes long.
 Data: < e	gv           > 80 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027667094980, 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 0x0000027667095E50, 16 bytes long.
 Data: <   gv           > 98 05 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027667090BF0, 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 0x0000027667096170, 16 bytes long.
 Data: <p  gv           > 70 05 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000276670958B0, 16 bytes long.
 Data: <H  gv           > 48 05 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027667095E00, 16 bytes long.
 Data: <   gv           > 20 05 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276670954F0, 16 bytes long.
 Data: <&#248;  gv           > F8 04 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027667096260, 16 bytes long.
 Data: <&#208;  gv           > D0 04 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027667096210, 16 bytes long.
 Data: <&#168;  gv           > A8 04 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027667091730, 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 0x0000027667095DB0, 16 bytes long.
 Data: <   gv           > 80 04 08 67 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027667080480, 320 bytes long.
 Data: <&#176;]	gv   0 	gv   > B0 5D 09 67 76 02 00 00 30 17 09 67 76 02 00 00 
{275} normal block at 0x00000276670959A0, 16 bytes long.
 Data: <`e	gv           > 60 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027667095450, 16 bytes long.
 Data: <8e	gv           > 38 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000276670908F0, 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 0x00000276670954A0, 16 bytes long.
 Data: < e	gv           > 10 65 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000276670913D0, 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 0x0000027667095C20, 16 bytes long.
 Data: <Xd	gv           > 58 64 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000276670961C0, 16 bytes long.
 Data: <0d	gv           > 30 64 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027667095590, 16 bytes long.
 Data: < d	gv           > 08 64 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027667095C70, 16 bytes long.
 Data: <&#224;c	gv           > E0 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027667095540, 16 bytes long.
 Data: <&#184;c	gv           > B8 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027667095EF0, 16 bytes long.
 Data: < c	gv           > 90 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027667095630, 16 bytes long.
 Data: <&#224;M	gv           > E0 4D 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027667094DE0, 40 bytes long.
 Data: <0V	gv   @&#164;&#212;hv   > 30 56 09 67 76 02 00 00 40 A4 D4 68 76 02 00 00 
{261} normal block at 0x0000027667095B80, 16 bytes long.
 Data: <pc	gv           > 70 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027667095D10, 16 bytes long.
 Data: <Hc	gv           > 48 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000276670914F0, 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 0x0000027667095F90, 16 bytes long.
 Data: < c	gv           > 20 63 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027667096320, 992 bytes long.
 Data: < _	gv   &#240; 	gv   > 90 5F 09 67 76 02 00 00 F0 14 09 67 76 02 00 00 
{93} normal block at 0x0000027667091190, 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 0x000002766708D3C0, 16 bytes long.
 Data: <&#192; 	gv           > C0 06 09 67 76 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000276670906C0, 40 bytes long.
 Data: <&#192;&#211; gv     	gv   > C0 D3 08 67 76 02 00 00 90 11 09 67 76 02 00 00 
{70} normal block at 0x000002766708D0A0, 16 bytes long.
 Data: < &#234;M$&#246;           > 80 EA 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002766708D1E0, 16 bytes long.
 Data: <@&#233;M$&#246;           > 40 E9 4D 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002766708D320, 16 bytes long.
 Data: <&#248;WJ$&#246;           > F8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002766708D2D0, 16 bytes long.
 Data: <&#216;WJ$&#246;           > D8 57 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002766708CFB0, 16 bytes long.
 Data: <P J$&#246;           > 50 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002766708DB40, 16 bytes long.
 Data: <0 J$&#246;           > 30 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002766708D0F0, 16 bytes long.
 Data: <&#224; J$&#246;           > E0 02 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002766708DAF0, 16 bytes long.
 Data: <  J$&#246;           > 10 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002766708D500, 16 bytes long.
 Data: <p J$&#246;           > 70 04 4A 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002766708DD70, 16 bytes long.
 Data: < &#192;H$&#246;           > 18 C0 48 24 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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