Task 38615639
| Name | p38_2_A27_A31_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND3406_0 |
| Workunit | 31567936 |
| Created | 17 Apr 2026, 16:53:25 UTC |
| Sent | 17 Apr 2026, 17:31:46 UTC |
| Report deadline | 22 Apr 2026, 17:31:46 UTC |
| Received | 17 Apr 2026, 17:56:48 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 3 min 44 sec |
| CPU time | 13 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,692.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 282.60 MB |
| Peak swap size | 9.11 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
20:47:41 (8152): wrapper (7.9.26016): starting
20:47:41 (8152): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A31_0.pdb
QB_A27_A31_0.xml
QB_A27_A31.inpcrd
QB_A27_A31_input.yaml
QB_A27_A31.pdb
QB_A27_A31.prmtop
QB_A27_A31_sys.xml
run.bat
run.sh
20:47:43 (8152): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:47:43 (8152): 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.
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 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
20:48:24 (8152): C:/Windows/system32/cmd.exe exited; CPU time 13.921875
20:48:24 (8152): app exit status: 0x16
20:48:24 (8152): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 403701 bytes.
Dumping objects ->
{3835309} normal block at 0x000001EA0D6C15D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001EA0D6C13A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000001EA0D6C1170, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x000001EA0D6C1640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001EA0D6C1100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x000001EA0D76CA10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x000001EA0D812C00, 180 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) : {3835220} normal block at 0x000001EA0BB27070, 8 bytes long.
Data: < ¦ ê > 00 00 A6 0B EA 01 00 00
{3834574} normal block at 0x000001EA0D812840, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001EA0BB26710, 8 bytes long.
Data: <0él ê > 30 E9 6C 0D EA 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001EA0BB32DA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EA0BB2C240, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001EA0BB33ED0, 16 bytes long.
Data: < Q³ ê > 18 51 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EA0BB33E80, 16 bytes long.
Data: <ðP³ ê > F0 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EA0BB2DAC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001EA0BB34470, 16 bytes long.
Data: <ÈP³ ê > C8 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EA0BB33E30, 16 bytes long.
Data: < P³ ê > A0 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EA0BB34CE0, 16 bytes long.
Data: <xP³ ê > 78 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EA0BB34240, 16 bytes long.
Data: <PP³ ê > 50 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EA0BB2B010, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001EA0BB34D30, 16 bytes long.
Data: <ØÁ² ê > D8 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EA0BB2D9A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001EA0BB342E0, 16 bytes long.
Data: <°Á² ê > B0 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EA0BB341F0, 16 bytes long.
Data: < Á² ê > 88 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EA0BB34BF0, 16 bytes long.
Data: <`Á² ê > 60 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EA0BB340B0, 16 bytes long.
Data: <8Á² ê > 38 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EA0BB34BA0, 16 bytes long.
Data: < Á² ê > 10 C1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EA0BB348D0, 16 bytes long.
Data: <èÀ² ê > E8 C0 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EA0BB2DFA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001EA0BB34560, 16 bytes long.
Data: <ÀÀ² ê > C0 C0 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EA0BB2C0C0, 320 bytes long.
Data: <`E³ ê  ß² ê > 60 45 B3 0B EA 01 00 00 A0 DF B2 0B EA 01 00 00
{269} normal block at 0x000001EA0BB34830, 16 bytes long.
Data: <0P³ ê > 30 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EA0BB34B50, 16 bytes long.
Data: < P³ ê > 08 50 B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EA0BB2D7C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001EA0BB347E0, 16 bytes long.
Data: <àO³ ê > E0 4F B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EA0BB2DC40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001EA0BB34B00, 16 bytes long.
Data: <(O³ ê > 28 4F B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EA0BB344C0, 16 bytes long.
Data: < O³ ê > 00 4F B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EA0BB34740, 16 bytes long.
Data: <ØN³ ê > D8 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EA0BB346F0, 16 bytes long.
Data: <°N³ ê > B0 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EA0BB34AB0, 16 bytes long.
Data: < N³ ê > 88 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EA0BB34060, 16 bytes long.
Data: <`N³ ê > 60 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EA0BB34510, 16 bytes long.
Data: <б² ê > D0 B1 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EA0BB2B1D0, 40 bytes long.
Data: < E³ ê Êv ê > 10 45 B3 0B EA 01 00 00 10 CA 76 0D EA 01 00 00
{255} normal block at 0x000001EA0BB341A0, 16 bytes long.
Data: <@N³ ê > 40 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001EA0BB345B0, 16 bytes long.
Data: < N³ ê > 18 4E B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001EA0BB2D940, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001EA0BB34420, 16 bytes long.
Data: <ðM³ ê > F0 4D B3 0B EA 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001EA0BB34DF0, 992 bytes long.
Data: < D³ ê @Ù² ê > 20 44 B3 0B EA 01 00 00 40 D9 B2 0B EA 01 00 00
{87} normal block at 0x000001EA0BB2D6A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001EA0BB26C10, 16 bytes long.
Data: < ¶² ê > A0 B6 B2 0B EA 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001EA0BB2B6A0, 40 bytes long.
Data: < l² ê  Ö² ê > 10 6C B2 0B EA 01 00 00 A0 D6 B2 0B EA 01 00 00
{64} normal block at 0x000001EA0BB26B70, 16 bytes long.
Data: <€ê,'ö > 80 EA 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EA0BB265D0, 16 bytes long.
Data: <@é,'ö > 40 E9 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EA0BB27160, 16 bytes long.
Data: <øW)'ö > F8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EA0BB26350, 16 bytes long.
Data: <ØW)'ö > D8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EA0BB263F0, 16 bytes long.
Data: <P )'ö > 50 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EA0BB27020, 16 bytes long.
Data: <0 )'ö > 30 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EA0BB26F80, 16 bytes long.
Data: <à )'ö > E0 02 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001EA0BB26E40, 16 bytes long.
Data: < )'ö > 10 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001EA0BB26850, 16 bytes long.
Data: <p )'ö > 70 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001EA0BB26F30, 16 bytes long.
Data: < À''ö > 18 C0 27 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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