Task 38612265
| Name | CDK2_A15_A01_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-1-6-RND7027_0 |
| Workunit | 31564898 |
| Created | 16 Apr 2026, 5:02:58 UTC |
| Sent | 16 Apr 2026, 5:03:00 UTC |
| Report deadline | 21 Apr 2026, 5:03:00 UTC |
| Received | 16 Apr 2026, 5:11:58 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 649646 |
| Run time | 7 min 12 sec |
| CPU time | 1 min 27 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 1,134.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 523.13 MB |
| Peak swap size | 6.17 GB |
| Peak disk usage | 2.70 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:08:49 (18676): wrapper (7.9.26016): starting
07:08:49 (18676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A01_0.pdb
QB_A15_A01_0.xml
QB_A15_A01.inpcrd
QB_A15_A01_input.yaml
QB_A15_A01.pdb
QB_A15_A01.prmtop
QB_A15_A01_sys.xml
run.bat
run.sh
07:08:52 (18676): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:08:52 (18676): 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 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\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
07:11:39 (18676): C:/Windows/system32/cmd.exe exited; CPU time 87.203125
07:11:39 (18676): app exit status: 0x16
07:11:39 (18676): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 2043268 bytes.
Dumping objects ->
{3835237} normal block at 0x0000019899A390B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x0000019899A39350, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x0000019899A39580, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835204} normal block at 0x0000019899A39900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x0000019899A39890, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835162} normal block at 0x000001989B6F9670, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x000001989B70DA10, 85 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) : {3835148} normal block at 0x0000019899A0D130, 8 bytes long.
Data: < å > 00 00 E5 99 98 01 00 00
{3834549} normal block at 0x000001989B70D970, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x0000019899A0D0E0, 8 bytes long.
Data: < ÙŸ > 90 D9 9F 99 98 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000019899A021B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000198999FEEF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000019899A15FB0, 16 bytes long.
Data: <8i¡ > 38 69 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019899A15830, 16 bytes long.
Data: < i¡ > 10 69 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019899A10280, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000019899A16410, 16 bytes long.
Data: <èh¡ > E8 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019899A157E0, 16 bytes long.
Data: <Àh¡ > C0 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019899A15B00, 16 bytes long.
Data: < h¡ > 98 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019899A15C90, 16 bytes long.
Data: <ph¡ > 70 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019899A13B50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000019899A15790, 16 bytes long.
Data: <H   > 48 03 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019899A0FE60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000019899A15740, 16 bytes long.
Data: <   > 20 03 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019899A16050, 16 bytes long.
Data: <ø   > F8 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019899A156F0, 16 bytes long.
Data: <Ð   > D0 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019899A15AB0, 16 bytes long.
Data: <¨   > A8 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019899A15DD0, 16 bytes long.
Data: <   > 80 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019899A163C0, 16 bytes long.
Data: <X   > 58 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019899A0FC20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000019899A160F0, 16 bytes long.
Data: <0   > 30 02 A0 99 98 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019899A00230, 320 bytes long.
Data: <ð`¡ ü  > F0 60 A1 99 98 01 00 00 20 FC A0 99 98 01 00 00
{280} normal block at 0x0000019899A16320, 16 bytes long.
Data: <Ph¡ > 50 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019899A160A0, 16 bytes long.
Data: <(h¡ > 28 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019899A10220, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000019899A15A60, 16 bytes long.
Data: < h¡ > 00 68 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019899A0FD40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000019899A15A10, 16 bytes long.
Data: <Hg¡ > 48 67 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019899A162D0, 16 bytes long.
Data: < g¡ > 20 67 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019899A156A0, 16 bytes long.
Data: <øf¡ > F8 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019899A165A0, 16 bytes long.
Data: <Ðf¡ > D0 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019899A15D80, 16 bytes long.
Data: <¨f¡ > A8 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019899A15BF0, 16 bytes long.
Data: < f¡ > 80 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019899A16550, 16 bytes long.
Data: <Ð7¡ > D0 37 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019899A137D0, 40 bytes long.
Data: <Pe¡ p–o› > 50 65 A1 99 98 01 00 00 70 96 6F 9B 98 01 00 00
{266} normal block at 0x0000019899A158D0, 16 bytes long.
Data: <`f¡ > 60 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019899A159C0, 16 bytes long.
Data: <8f¡ > 38 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019899A10160, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000019899A15BA0, 16 bytes long.
Data: < f¡ > 10 66 A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019899A16610, 992 bytes long.
Data: < [¡ ` ¡ > A0 5B A1 99 98 01 00 00 60 01 A1 99 98 01 00 00
{98} normal block at 0x0000019899A0FB60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000019899A0D400, 16 bytes long.
Data: <à:¡ > E0 3A A1 99 98 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000019899A13AE0, 40 bytes long.
Data: < Ô  `û  > 00 D4 A0 99 98 01 00 00 60 FB A0 99 98 01 00 00
{75} normal block at 0x0000019899A0DDB0, 16 bytes long.
Data: < ꇚ÷ > 80 EA 87 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019899A0D770, 16 bytes long.
Data: <@釚÷ > 40 E9 87 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019899A0DF90, 16 bytes long.
Data: <øW„š÷ > F8 57 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019899A0D680, 16 bytes long.
Data: <ØW„š÷ > D8 57 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019899A0DC70, 16 bytes long.
Data: <P „š÷ > 50 04 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019899A0D6D0, 16 bytes long.
Data: <0 „š÷ > 30 04 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019899A0DF40, 16 bytes long.
Data: <à „š÷ > E0 02 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019899A0DEF0, 16 bytes long.
Data: < „š÷ > 10 04 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019899A0D360, 16 bytes long.
Data: <p „š÷ > 70 04 84 9A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019899A0D810, 16 bytes long.
Data: < À‚š÷ > 18 C0 82 9A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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