Task 38581302

Name HIF2A_A02_A43_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4902_0
Workunit 31545828
Created 12 Dec 2025, 10:43:53 UTC
Sent 12 Dec 2025, 10:43:56 UTC
Report deadline 17 Dec 2025, 10:43:56 UTC
Received 12 Dec 2025, 13:50:29 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 637164
Run time 1 min 28 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,359.11 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 38.91 MB
Peak swap size 26.80 MB
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>
07:46:21 (44780): wrapper (7.9.26016): starting
07:46:21 (44780): 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
07:46:22 (44780): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:46:22 (44780): 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\124\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\124\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\124\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\124\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\124\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\124\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\124\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'
07:46:44 (44780): C:/Windows/system32/cmd.exe exited; CPU time 1.734375
07:46:44 (44780): app exit status: 0x16
07:46:44 (44780): 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: 946269 bytes.
Dumping objects ->
{3835318} normal block at 0x000001DE54C577B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000001DE54C57890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x000001DE54C57AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835285} normal block at 0x000001DE54C57DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x000001DE54C57350, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835243} normal block at 0x000001DE54BF7E50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001DE54C1EE00, 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) : {3835229} normal block at 0x000001DE52CDDE80, 8 bytes long.
 Data: <  &#201;R&#222;   > 00 00 C9 52 DE 01 00 00 
{3834578} normal block at 0x000001DE54C1F170, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001DE52CDD520, 8 bytes long.
 Data: <&#208;1&#198;T&#222;   > D0 31 C6 54 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DE52CD0E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DE52CD2310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DE52CE5E30, 16 bytes long.
 Data: < i&#206;R&#222;           > 98 69 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DE52CE5F20, 16 bytes long.
 Data: <pi&#206;R&#222;           > 70 69 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DE52CE1730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DE52CE6510, 16 bytes long.
 Data: <Hi&#206;R&#222;           > 48 69 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DE52CE6470, 16 bytes long.
 Data: < i&#206;R&#222;           > 20 69 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DE52CE5CF0, 16 bytes long.
 Data: <&#248;h&#206;R&#222;           > F8 68 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DE52CE57F0, 16 bytes long.
 Data: <&#208;h&#206;R&#222;           > D0 68 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE52CE3AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DE52CE5B60, 16 bytes long.
 Data: <(&#255;&#204;R&#222;           > 28 FF CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DE52CE16D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DE52CE6290, 16 bytes long.
 Data: < &#255;&#204;R&#222;           > 00 FF CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DE52CE5AC0, 16 bytes long.
 Data: <&#216;&#254;&#204;R&#222;           > D8 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DE52CE6420, 16 bytes long.
 Data: <&#176;&#254;&#204;R&#222;           > B0 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DE52CE5980, 16 bytes long.
 Data: < &#254;&#204;R&#222;           > 88 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE52CE5750, 16 bytes long.
 Data: <`&#254;&#204;R&#222;           > 60 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DE52CE5700, 16 bytes long.
 Data: <8&#254;&#204;R&#222;           > 38 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DE52CE1490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DE52CE61A0, 16 bytes long.
 Data: < &#254;&#204;R&#222;           > 10 FE CC 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DE52CCFE10, 320 bytes long.
 Data: <&#160;a&#206;R&#222;     &#206;R&#222;   > A0 61 CE 52 DE 01 00 00 90 14 CE 52 DE 01 00 00 
{276} normal block at 0x000001DE52CE5DE0, 16 bytes long.
 Data: <&#176;h&#206;R&#222;           > B0 68 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DE52CE6010, 16 bytes long.
 Data: < h&#206;R&#222;           > 88 68 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DE52CE0F50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DE52CE5D90, 16 bytes long.
 Data: <`h&#206;R&#222;           > 60 68 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE52CE0BF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DE52CE63D0, 16 bytes long.
 Data: <&#168;g&#206;R&#222;           > A8 67 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DE52CE5ED0, 16 bytes long.
 Data: < g&#206;R&#222;           > 80 67 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DE52CE5840, 16 bytes long.
 Data: <Xg&#206;R&#222;           > 58 67 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DE52CE5FC0, 16 bytes long.
 Data: <0g&#206;R&#222;           > 30 67 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DE52CE6330, 16 bytes long.
 Data: < g&#206;R&#222;           > 08 67 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE52CE5BB0, 16 bytes long.
 Data: <&#224;f&#206;R&#222;           > E0 66 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DE52CE5A20, 16 bytes long.
 Data: < <&#206;R&#222;           > 90 3C CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DE52CE3C90, 40 bytes long.
 Data: < Z&#206;R&#222;   P~&#191;T&#222;   > 20 5A CE 52 DE 01 00 00 50 7E BF 54 DE 01 00 00 
{262} normal block at 0x000001DE52CE6600, 16 bytes long.
 Data: <&#192;f&#206;R&#222;           > C0 66 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DE52CE62E0, 16 bytes long.
 Data: < f&#206;R&#222;           > 98 66 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DE52CE0D10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DE52CE5C00, 16 bytes long.
 Data: <pf&#206;R&#222;           > 70 66 CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DE52CE6670, 992 bytes long.
 Data: < \&#206;R&#222;     &#206;R&#222;   > 00 5C CE 52 DE 01 00 00 10 0D CE 52 DE 01 00 00 
{94} normal block at 0x000001DE52CE1790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DE52CDD480, 16 bytes long.
 Data: <`:&#206;R&#222;           > 60 3A CE 52 DE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DE52CE3A60, 40 bytes long.
 Data: < &#212;&#205;R&#222;     &#206;R&#222;   > 80 D4 CD 52 DE 01 00 00 90 17 CE 52 DE 01 00 00 
{71} normal block at 0x000001DE52CDD3E0, 16 bytes long.
 Data: < &#234;&#172;&#254;&#246;           > 80 EA AC FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DE52CDDCF0, 16 bytes long.
 Data: <@&#233;&#172;&#254;&#246;           > 40 E9 AC FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DE52CDD2A0, 16 bytes long.
 Data: <&#248;W&#169;&#254;&#246;           > F8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DE52CDD070, 16 bytes long.
 Data: <&#216;W&#169;&#254;&#246;           > D8 57 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DE52CDD020, 16 bytes long.
 Data: <P &#169;&#254;&#246;           > 50 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DE52CDDB10, 16 bytes long.
 Data: <0 &#169;&#254;&#246;           > 30 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DE52CDDA20, 16 bytes long.
 Data: <&#224; &#169;&#254;&#246;           > E0 02 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DE52CDD6B0, 16 bytes long.
 Data: <  &#169;&#254;&#246;           > 10 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DE52CDD930, 16 bytes long.
 Data: <p &#169;&#254;&#246;           > 70 04 A9 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DE52CDD660, 16 bytes long.
 Data: < &#192;&#167;&#254;&#246;           > 18 C0 A7 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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