| Name | HIF2A_A24_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7151_4 |
| Workunit | 31545965 |
| Created | 13 Dec 2025, 0:03:17 UTC |
| Sent | 13 Dec 2025, 0:03:22 UTC |
| Report deadline | 18 Dec 2025, 0:03:22 UTC |
| Received | 13 Dec 2025, 0:27:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 639498 |
| Run time | 2 min 48 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,086.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 48.36 MB |
| Peak swap size | 36.15 MB |
| Peak disk usage | 1.43 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:25:19 (4816): wrapper (7.9.26016): starting
17:25:20 (4816): 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
17:25:22 (4816): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:25:22 (4816): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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'
17:25:42 (4816): C:/Windows/system32/cmd.exe exited; CPU time 0.500000
17:25:42 (4816): app exit status: 0x16
17:25:42 (4816): 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: 264303 bytes.
Dumping objects ->
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Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x0000023D75BE0C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835247} normal block at 0x0000023D75BE0CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000023D75BE0DF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835205} normal block at 0x0000023D75CD36A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x0000023D74273190, 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) : {3835190} normal block at 0x0000023D742670B0, 8 bytes long.
Data: < t= > 00 00 1D 74 3D 02 00 00
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Data: <Ð;Óu= > D0 3B D3 75 3D 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023D74270160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023D742710A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <Ð9't= > D0 39 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <¨9't= > A8 39 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000023D74271FB0, 16 bytes long.
Data: <8 't= > 38 10 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000023D742718D0, 16 bytes long.
Data: < 't= > 10 10 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <è 't= > E8 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023D74271D30, 16 bytes long.
Data: <À 't= > C0 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023D74271470, 16 bytes long.
Data: < 't= > 98 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023D742713D0, 16 bytes long.
Data: <p 't= > 70 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023D74271B00, 16 bytes long.
Data: <H 't= > 48 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023D7426DE30, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x0000023D74271C90, 16 bytes long.
Data: < 't= > 20 0F 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <`9't= > 60 39 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <89't= > 38 39 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
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Data: < 9't= > 10 39 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023D7426DAD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000023D74271F10, 16 bytes long.
Data: <X8't= > 58 38 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <08't= > 30 38 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: < 8't= > 08 38 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <à7't= > E0 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <¸7't= > B8 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: < 7't= > 90 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023D74271740, 16 bytes long.
Data: < É&t= > 90 C9 26 74 3D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023D7426C990, 40 bytes long.
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{254} normal block at 0x0000023D74271880, 16 bytes long.
Data: <p7't= > 70 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
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Data: <H7't= > 48 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023D7426D3B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000023D74271BA0, 16 bytes long.
Data: < 7't= > 20 37 27 74 3D 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000023D74273720, 992 bytes long.
Data: <  't= °Ó&t= > A0 1B 27 74 3D 02 00 00 B0 D3 26 74 3D 02 00 00
{86} normal block at 0x0000023D7426D770, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000023D74266E30, 16 bytes long.
Data: <PË&t= > 50 CB 26 74 3D 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000023D7426CB50, 40 bytes long.
Data: <0n&t= p×&t= > 30 6E 26 74 3D 02 00 00 70 D7 26 74 3D 02 00 00
{63} normal block at 0x0000023D74266D90, 16 bytes long.
Data: < ê3ïö > 80 EA 33 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023D74267010, 16 bytes long.
Data: <@é3ïö > 40 E9 33 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023D74267330, 16 bytes long.
Data: <øW0ïö > F8 57 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023D74266660, 16 bytes long.
Data: <ØW0ïö > D8 57 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023D74266D40, 16 bytes long.
Data: <P 0ïö > 50 04 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023D74266930, 16 bytes long.
Data: <0 0ïö > 30 04 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023D74266FC0, 16 bytes long.
Data: <à 0ïö > E0 02 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023D74267240, 16 bytes long.
Data: < 0ïö > 10 04 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023D74266CF0, 16 bytes long.
Data: <p 0ïö > 70 04 30 EF F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000023D74266CA0, 16 bytes long.
Data: < À.ïö > 18 C0 2E EF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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