Task 38584364

Name HIF2A_A02_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7433_5
Workunit 31545830
Created 17 Dec 2025, 11:07:40 UTC
Sent 17 Dec 2025, 11:07:45 UTC
Report deadline 22 Dec 2025, 11:07:45 UTC
Received 17 Dec 2025, 11:13:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642631
Run time 3 min 14 sec
CPU time 4 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,240.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 43.47 MB
Peak swap size 32.15 MB
Peak disk usage 2.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:11:12 (12712): wrapper (7.9.26016): starting
06:11:12 (12712): 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
06:11:13 (12712): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:11:13 (12712): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\16\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'
06:11:37 (12712): C:/Windows/system32/cmd.exe exited; CPU time 4.343750
06:11:37 (12712): app exit status: 0x16
06:11:37 (12712): 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: 467245 bytes.
Dumping objects ->
{3835271} normal block at 0x0000018C220CC980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000018C220CC8A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000018C220CC520, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000018C220CC910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000018C205CBB10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000018C22114EE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000018C2212DFC0, 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) : {3835182} normal block at 0x0000018C205D2C00, 8 bytes long.
 Data: <  W &#140;   > 00 00 57 20 8C 01 00 00 
{3834554} normal block at 0x0000018C2212ED80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000018C205D2F70, 8 bytes long.
 Data: <`&#220;j &#140;   > 60 DC 6A 20 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000018C205D3730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018C205BBA30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000018C205C6940, 16 bytes long.
 Data: < H] &#140;           > 88 48 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018C205C68F0, 16 bytes long.
 Data: <`H] &#140;           > 60 48 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018C205CCF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000018C205C6D50, 16 bytes long.
 Data: <8H] &#140;           > 38 48 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018C205C7840, 16 bytes long.
 Data: < H] &#140;           > 10 48 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C205C6DF0, 16 bytes long.
 Data: <&#232;G] &#140;           > E8 47 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C205C6F30, 16 bytes long.
 Data: <&#192;G] &#140;           > C0 47 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C205CB800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000018C205C77A0, 16 bytes long.
 Data: <X[[ &#140;           > 58 5B 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018C205CD800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000018C205C6D00, 16 bytes long.
 Data: <0[[ &#140;           > 30 5B 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018C205C7110, 16 bytes long.
 Data: < [[ &#140;           > 08 5B 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C205C6BC0, 16 bytes long.
 Data: <&#224;Z[ &#140;           > E0 5A 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018C205C6B70, 16 bytes long.
 Data: <&#184;Z[ &#140;           > B8 5A 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018C205D3010, 16 bytes long.
 Data: < Z[ &#140;           > 90 5A 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018C205D2F20, 16 bytes long.
 Data: <hZ[ &#140;           > 68 5A 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018C205CCC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000018C205D32E0, 16 bytes long.
 Data: <@Z[ &#140;           > 40 5A 5B 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C205B5A40, 320 bytes long.
 Data: <&#224;2] &#140;    &#204;\ &#140;   > E0 32 5D 20 8C 01 00 00 00 CC 5C 20 8C 01 00 00 
{267} normal block at 0x0000018C205D2BB0, 16 bytes long.
 Data: <&#160;G] &#140;           > A0 47 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C205D2E30, 16 bytes long.
 Data: <xG] &#140;           > 78 47 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C205CD7A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000018C205D3290, 16 bytes long.
 Data: <PG] &#140;           > 50 47 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C205CCA80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000018C205D3240, 16 bytes long.
 Data: < F] &#140;           > 98 46 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018C205D31F0, 16 bytes long.
 Data: <pF] &#140;           > 70 46 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C205D2FC0, 16 bytes long.
 Data: <HF] &#140;           > 48 46 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018C205D30B0, 16 bytes long.
 Data: < F] &#140;           > 20 46 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018C205D3100, 16 bytes long.
 Data: <&#248;E] &#140;           > F8 45 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018C205D3060, 16 bytes long.
 Data: <&#208;E] &#140;           > D0 45 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018C205D2DE0, 16 bytes long.
 Data: < &#187;\ &#140;           > 80 BB 5C 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018C205CBB80, 40 bytes long.
 Data: <&#224;-] &#140;   &#224;N "&#140;   > E0 2D 5D 20 8C 01 00 00 E0 4E 11 22 8C 01 00 00 
{253} normal block at 0x0000018C205D2D90, 16 bytes long.
 Data: <&#176;E] &#140;           > B0 45 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018C205D2ED0, 16 bytes long.
 Data: < E] &#140;           > 88 45 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018C205CCBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000018C205D2CF0, 16 bytes long.
 Data: <`E] &#140;           > 60 45 5D 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000018C205D4560, 992 bytes long.
 Data: <&#240;,] &#140;   &#160;&#203;\ &#140;   > F0 2C 5D 20 8C 01 00 00 A0 CB 5C 20 8C 01 00 00 
{85} normal block at 0x0000018C205CD080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000018C205C7610, 16 bytes long.
 Data: <&#240;&#187;\ &#140;           > F0 BB 5C 20 8C 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000018C205CBBF0, 40 bytes long.
 Data: < v\ &#140;    &#208;\ &#140;   > 10 76 5C 20 8C 01 00 00 80 D0 5C 20 8C 01 00 00 
{62} normal block at 0x0000018C205C7340, 16 bytes long.
 Data: < &#234;&#198;&#130;&#246;           > 80 EA C6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018C205C72F0, 16 bytes long.
 Data: <@&#233;&#198;&#130;&#246;           > 40 E9 C6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018C205C7430, 16 bytes long.
 Data: <&#248;W&#195;&#130;&#246;           > F8 57 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018C205C6AD0, 16 bytes long.
 Data: <&#216;W&#195;&#130;&#246;           > D8 57 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018C205C7700, 16 bytes long.
 Data: <P &#195;&#130;&#246;           > 50 04 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018C205C7660, 16 bytes long.
 Data: <0 &#195;&#130;&#246;           > 30 04 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018C205C72A0, 16 bytes long.
 Data: <&#224; &#195;&#130;&#246;           > E0 02 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018C205C6DA0, 16 bytes long.
 Data: <  &#195;&#130;&#246;           > 10 04 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000018C205C6F80, 16 bytes long.
 Data: <p &#195;&#130;&#246;           > 70 04 C3 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000018C205C7160, 16 bytes long.
 Data: < &#192;&#193;&#130;&#246;           > 18 C0 C1 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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