Task 38581653

Name	HIF2A_A24_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND6241_4
Workunit	31545964
Created	12 Dec 2025, 12:02:03 UTC
Sent	12 Dec 2025, 12:02:16 UTC
Report deadline	17 Dec 2025, 12:02:16 UTC
Received	12 Dec 2025, 12:06:59 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 4 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	64.68 MB
Peak swap size	11.70 GB
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>
04:05:20 (7956): wrapper (7.9.26016): starting
04:05:20 (7956): 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
04:05:21 (7956): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:05:21 (7956): 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'
04:05:32 (7956): C:/Windows/system32/cmd.exe exited; CPU time 0.593750
04:05:32 (7956): app exit status: 0x16
04:05:32 (7956): 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: 405635 bytes.
Dumping objects ->
{3835310} normal block at 0x000001657EC6D920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x000001657EC6D680, 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 0x000001657EC6DA00, 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 0x000001657D025400, 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 0x000001657D025390, 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 0x000001657ECB4FB0, 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 0x000001657ECCF470, 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 0x000001657D01DB70, 8 bytes long.
 Data: <  &#250;|e   > 00 00 FA 7C 65 01 00 00 
{3834573} normal block at 0x000001657ECCF310, 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 0x000001657D01D530, 8 bytes long.
 Data: < &#215; }e   > 90 D7 00 7D 65 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001657D010CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001657D011E20, 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 0x000001657D026090, 16 bytes long.
 Data: <&#248;k }e           > F8 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001657D0259B0, 16 bytes long.
 Data: <&#208;k }e           > D0 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001657D021140, 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 0x000001657D025EB0, 16 bytes long.
 Data: <&#168;k }e           > A8 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001657D025D70, 16 bytes long.
 Data: < k }e           > 80 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001657D025FF0, 16 bytes long.
 Data: <Xk }e           > 58 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001657D026220, 16 bytes long.
 Data: <0k }e           > 30 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001657D024E50, 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 0x000001657D025E60, 16 bytes long.
 Data: <&#232;&#242; }e           > E8 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001657D021260, 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 0x000001657D025AA0, 16 bytes long.
 Data: <&#192;&#242; }e           > C0 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001657D026630, 16 bytes long.
 Data: < &#242; }e           > 98 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001657D0265E0, 16 bytes long.
 Data: <p&#242; }e           > 70 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001657D025E10, 16 bytes long.
 Data: <H&#242; }e           > 48 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001657D025F00, 16 bytes long.
 Data: < &#242; }e           > 20 F2 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001657D0266D0, 16 bytes long.
 Data: <&#248;&#241; }e           > F8 F1 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001657D021920, 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 0x000001657D025A50, 16 bytes long.
 Data: <&#208;&#241; }e           > D0 F1 00 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001657D00F1D0, 320 bytes long.
 Data: <PZ }e      }e   > 50 5A 02 7D 65 01 00 00 20 19 02 7D 65 01 00 00 
{275} normal block at 0x000001657D026400, 16 bytes long.
 Data: < k }e           > 10 6B 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001657D026180, 16 bytes long.
 Data: <&#232;j }e           > E8 6A 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001657D021C80, 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 0x000001657D0261D0, 16 bytes long.
 Data: <&#192;j }e           > C0 6A 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001657D021320, 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 0x000001657D0264F0, 16 bytes long.
 Data: < j }e           > 08 6A 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001657D0262C0, 16 bytes long.
 Data: <&#224;i }e           > E0 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001657D025CD0, 16 bytes long.
 Data: <&#184;i }e           > B8 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001657D025BE0, 16 bytes long.
 Data: < i }e           > 90 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001657D025910, 16 bytes long.
 Data: <hi }e           > 68 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001657D0267C0, 16 bytes long.
 Data: <@i }e           > 40 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001657D025C30, 16 bytes long.
 Data: <`Q }e           > 60 51 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001657D025160, 40 bytes long.
 Data: <0\ }e   &#176;O&#203;~e   > 30 5C 02 7D 65 01 00 00 B0 4F CB 7E 65 01 00 00 
{261} normal block at 0x000001657D026860, 16 bytes long.
 Data: < i }e           > 20 69 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001657D026040, 16 bytes long.
 Data: <&#248;h }e           > F8 68 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001657D021440, 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 0x000001657D026770, 16 bytes long.
 Data: <&#208;h }e           > D0 68 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001657D0268D0, 992 bytes long.
 Data: <pg }e   @  }e   > 70 67 02 7D 65 01 00 00 40 14 02 7D 65 01 00 00 
{93} normal block at 0x000001657D021020, 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 0x000001657D01D850, 16 bytes long.
 Data: <&#160;O }e           > A0 4F 02 7D 65 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001657D024FA0, 40 bytes long.
 Data: <P&#216; }e      }e   > 50 D8 01 7D 65 01 00 00 20 10 02 7D 65 01 00 00 
{70} normal block at 0x000001657D01DE90, 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 0x000001657D01DFD0, 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 0x000001657D01D7B0, 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 0x000001657D01DA80, 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 0x000001657D01D260, 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 0x000001657D01D3A0, 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 0x000001657D01D2B0, 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 0x000001657D01DE40, 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 0x000001657D01D8F0, 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 0x000001657D01DD50, 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>
]]>