Task 38581796

Name HIF2A_A02_A43_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2987_5
Workunit 31545827
Created 12 Dec 2025, 15:20:31 UTC
Sent 12 Dec 2025, 15:20:35 UTC
Report deadline 17 Dec 2025, 15:20:35 UTC
Received 15 Dec 2025, 3:16:30 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 400693
Run time 5 min 39 sec
CPU time 5 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 4,172.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.24 MB
Peak swap size 41.72 MB
Peak disk usage 2.75 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
04:15:32 (6912): wrapper (7.9.26016): starting
04:15:33 (6912): 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
04:15:35 (6912): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:15:35 (6912): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\9\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\9\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\9\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'
04:16:05 (6912): C:/Windows/system32/cmd.exe exited; CPU time 5.000000
04:16:05 (6912): app exit status: 0x16
04:16:05 (6912): called boinc_finish(195)
0 bytes in 0 Free Blocks.
546 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: 355051 bytes.
Dumping objects ->
{3835132} normal block at 0x0000015F09AA0FE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x0000015F09AA1440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835110} normal block at 0x0000015F09AA10C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835099} normal block at 0x0000015F09AA12F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835088} normal block at 0x0000015F09AA17C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835057} normal block at 0x0000015F09B93790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835046} normal block at 0x0000015F080BD680, 145 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) : {3835043} normal block at 0x0000015F08066CC0, 8 bytes long.
 Data: <    _   > 00 00 04 08 5F 01 00 00 
{3834495} normal block at 0x0000015F080BD0D0, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000015F080676C0, 8 bytes long.
 Data: <P+&#191;	_   > 50 2B BF 09 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015F080718C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015F080560D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015F08072AE0, 16 bytes long.
 Data: <&#248;>  _           > F8 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015F08072B30, 16 bytes long.
 Data: <&#208;>  _           > D0 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015F0806BEE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015F08072A40, 16 bytes long.
 Data: <&#168;>  _           > A8 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F080729A0, 16 bytes long.
 Data: < >  _           > 80 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015F08072950, 16 bytes long.
 Data: <X>  _           > 58 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015F080728B0, 16 bytes long.
 Data: <0>  _           > 30 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015F0806DBA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015F080736C0, 16 bytes long.
 Data: <h`  _           > 68 60 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015F0806BDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015F08072A90, 16 bytes long.
 Data: <@`  _           > 40 60 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015F08073670, 16 bytes long.
 Data: < `  _           > 18 60 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015F08072FE0, 16 bytes long.
 Data: <&#240;_  _           > F0 5F 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F08073300, 16 bytes long.
 Data: <&#200;_  _           > C8 5F 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F080732B0, 16 bytes long.
 Data: <&#160;_  _           > A0 5F 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015F08072860, 16 bytes long.
 Data: <x_  _           > 78 5F 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015F0806BCA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015F08072E00, 16 bytes long.
 Data: <P_  _           > 50 5F 05 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015F08055F50, 320 bytes long.
 Data: < .  _   &#160;&#188;  _   > 00 2E 07 08 5F 01 00 00 A0 BC 06 08 5F 01 00 00 
{273} normal block at 0x0000015F08073760, 16 bytes long.
 Data: < >  _           > 10 3E 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015F08073260, 16 bytes long.
 Data: <&#232;=  _           > E8 3D 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015F0806BB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015F080731C0, 16 bytes long.
 Data: <&#192;=  _           > C0 3D 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015F0806BE80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015F08073620, 16 bytes long.
 Data: < =  _           > 08 3D 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F08072F90, 16 bytes long.
 Data: <&#224;<  _           > E0 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015F08072BD0, 16 bytes long.
 Data: <&#184;<  _           > B8 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F080729F0, 16 bytes long.
 Data: < <  _           > 90 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015F08072F40, 16 bytes long.
 Data: <h<  _           > 68 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015F08073080, 16 bytes long.
 Data: <@<  _           > 40 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015F08073030, 16 bytes long.
 Data: < &#217;  _           > 00 D9 06 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015F0806D900, 40 bytes long.
 Data: <00  _    7&#185;	_   > 30 30 07 08 5F 01 00 00 90 37 B9 09 5F 01 00 00 
{259} normal block at 0x0000015F08073580, 16 bytes long.
 Data: < <  _           > 20 3C 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015F08072EF0, 16 bytes long.
 Data: <&#248;;  _           > F8 3B 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015F0806C180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015F08073530, 16 bytes long.
 Data: <&#208;;  _           > D0 3B 07 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015F08073BD0, 992 bytes long.
 Data: <05  _    &#193;  _   > 30 35 07 08 5F 01 00 00 80 C1 06 08 5F 01 00 00 
{91} normal block at 0x0000015F0806C660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015F08067440, 16 bytes long.
 Data: < &#216;  _           > 20 D8 06 08 5F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015F0806D820, 40 bytes long.
 Data: <@t  _   `&#198;  _   > 40 74 06 08 5F 01 00 00 60 C6 06 08 5F 01 00 00 
{68} normal block at 0x0000015F08066B80, 16 bytes long.
 Data: < &#234;x &#246;           > 80 EA 78 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015F080669F0, 16 bytes long.
 Data: <@&#233;x &#246;           > 40 E9 78 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015F08066A90, 16 bytes long.
 Data: <&#248;Wu &#246;           > F8 57 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F08067120, 16 bytes long.
 Data: <&#216;Wu &#246;           > D8 57 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F08067300, 16 bytes long.
 Data: <P u &#246;           > 50 04 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F08067530, 16 bytes long.
 Data: <0 u &#246;           > 30 04 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F080669A0, 16 bytes long.
 Data: <&#224; u &#246;           > E0 02 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F080675D0, 16 bytes long.
 Data: <  u &#246;           > 10 04 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015F08067580, 16 bytes long.
 Data: <p u &#246;           > 70 04 75 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015F08067030, 16 bytes long.
 Data: < &#192;s &#246;           > 18 C0 73 00 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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