Task 38583708

Name	HIF2A_A13_A11_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND9460_1
Workunit	31547456
Created	14 Dec 2025, 14:05:50 UTC
Sent	14 Dec 2025, 14:05:55 UTC
Report deadline	19 Dec 2025, 14:05:55 UTC
Received	14 Dec 2025, 19:29:12 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	618813
Run time	7 min
CPU time	5 min 29 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	86,024.42 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	463.96 MB
Peak swap size	12.78 GB
Peak disk usage	2.05 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:25:56 (102508): wrapper (7.9.26016): starting
13:25:56 (102508): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A11_0.pdb
QB_A13_A11_0.xml
QB_A13_A11_equil.pdb
QB_A13_A11.inpcrd
QB_A13_A11_input.yaml
QB_A13_A11_mdlambda.pdb
QB_A13_A11_min.pdb
QB_A13_A11_npt.pdb
QB_A13_A11.pdb
QB_A13_A11.prmtop
QB_A13_A11_sys.xml
QB_A13_A11_therm.pdb
run.bat
run.sh
13:25:57 (102508): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:25:57 (102508): 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\14\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\14\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835337} normal block at 0x000002BC022FD3F0, 8 bytes long.
 Data: <  *     > 00 00 2A 02 BC 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3834034} normal block at 0x000002BC022F0C60, 1080 bytes long.
 Data: <                > F0 DD 00 00 CD CD CD CD B4 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x000002BC022EDC20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:35:31 (90652): wrapper (7.9.26016): starting
13:35:31 (90652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1645} normal block at 0x000001E1D140D6B0, 8 bytes long.
 Data: <        > 00 00 F9 D2 E1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {342} normal block at 0x000001E1D140E1A0, 1080 bytes long.
 Data: <                > 98 89 01 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
14:26:56 (104272): wrapper (7.9.26016): starting
14:26:56 (104272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\14\tmp already exists.
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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
    self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 229, in _openmm_worker_makecontext
    self.platform = Platform.getPlatformByName(self.platform_name)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
14:27:27 (104272): C:/Windows/system32/cmd.exe exited; CPU time 25.109375
14:27:27 (104272): app exit status: 0x16
14:27:27 (104272): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 1178821 bytes.
Dumping objects ->
{1734} normal block at 0x00000285882CCE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1723} normal block at 0x00000285882C3DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1712} normal block at 0x00000285882C3D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1701} normal block at 0x00000285882C3D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1690} normal block at 0x00000285882C3BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1659} normal block at 0x00000285882B23A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1648} normal block at 0x00000285882C99B0, 140 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) : {1645} normal block at 0x00000285882CA4C0, 8 bytes long.
 Data: <  '     > 00 00 27 88 85 02 00 00 
{991} normal block at 0x00000285882AEA40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{343} normal block at 0x00000285882C9ED0, 8 bytes long.
 Data: <  ,     > C0 B1 2C 88 85 02 00 00 
{334} normal block at 0x00000285882B4830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x00000285882CA790, 16 bytes long.
 Data: <  ,             > C8 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x00000285882CA9C0, 16 bytes long.
 Data: <  ,             > A0 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x00000285882C43C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x00000285882CA740, 16 bytes long.
 Data: <x ,             > 78 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x00000285882CA3D0, 16 bytes long.
 Data: <P ,             > 50 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x00000285882CA380, 16 bytes long.
 Data: <( ,             > 28 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x00000285882CA330, 16 bytes long.
 Data: <  ,             > 00 B0 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x00000285882C3B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x00000285882CAA60, 16 bytes long.
 Data: <  +             > A8 1D 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x00000285882C42A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x00000285882CA1A0, 16 bytes long.
 Data: <  +             > 80 1D 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x00000285882CA2E0, 16 bytes long.
 Data: <X +             > 58 1D 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x00000285882CAC40, 16 bytes long.
 Data: <0 +             > 30 1D 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x00000285882CA060, 16 bytes long.
 Data: <  +             > 08 1D 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x00000285882CA150, 16 bytes long.
 Data: <  +             > E0 1C 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x00000285882C9F20, 16 bytes long.
 Data: <  +             > B8 1C 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x00000285882C4540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x00000285882CA6F0, 16 bytes long.
 Data: <  +             > 90 1C 2B 88 85 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x00000285882B1C90, 320 bytes long.
 Data: <  ,     @E,     > F0 A6 2C 88 85 02 00 00 40 45 2C 88 85 02 00 00 
{313} normal block at 0x00000285882CA010, 16 bytes long.
 Data: <  ,             > E0 AF 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000285882CA6A0, 16 bytes long.
 Data: <  ,             > B8 AF 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000285882C4240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x00000285882CA0B0, 16 bytes long.
 Data: <  ,             > 90 AF 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000285882C4300, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x00000285882CA830, 16 bytes long.
 Data: <  ,             > D8 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000285882CA650, 16 bytes long.
 Data: <  ,             > B0 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000285882CA240, 16 bytes long.
 Data: <  ,             > 88 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000285882CA600, 16 bytes long.
 Data: <` ,             > 60 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000285882CA560, 16 bytes long.
 Data: <8 ,             > 38 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000285882CA470, 16 bytes long.
 Data: <  ,             > 10 AE 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000285882CA100, 16 bytes long.
 Data: <0<,             > 30 3C 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000285882C3C30, 40 bytes long.
 Data: <  ,      #+     > 00 A1 2C 88 85 02 00 00 A0 23 2B 88 85 02 00 00 
{299} normal block at 0x00000285882C9FC0, 16 bytes long.
 Data: <  ,             > F0 AD 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000285882CA1F0, 16 bytes long.
 Data: <  ,             > C8 AD 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000285882C4D80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x00000285882CA970, 16 bytes long.
 Data: <  ,             > A0 AD 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000285882CADA0, 992 bytes long.
 Data: <p ,      M,     > 70 A9 2C 88 85 02 00 00 80 4D 2C 88 85 02 00 00 
{131} normal block at 0x00000285882C41E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x00000285882BC990, 16 bytes long.
 Data: <`>,             > 60 3E 2C 88 85 02 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x00000285882C3E60, 40 bytes long.
 Data: <  +      A,     > 90 C9 2B 88 85 02 00 00 E0 41 2C 88 85 02 00 00 
{108} normal block at 0x00000285882BCC10, 16 bytes long.
 Data: <                > 80 EA BA F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000285882BCA80, 16 bytes long.
 Data: <@               > 40 E9 BA F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000285882BC260, 16 bytes long.
 Data: < W              > F8 57 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000285882BC8F0, 16 bytes long.
 Data: < W              > D8 57 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000285882BC850, 16 bytes long.
 Data: <P               > 50 04 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x00000285882BC440, 16 bytes long.
 Data: <0               > 30 04 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x00000285882BD160, 16 bytes long.
 Data: <                > E0 02 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000285882BC580, 16 bytes long.
 Data: <                > 10 04 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000285882BC530, 16 bytes long.
 Data: <p               > 70 04 B7 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000285882BC800, 16 bytes long.
 Data: <                > 18 C0 B5 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>