Task 38625272
| Name | p38_2_A30_A31_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-4-6-RND9051_0 |
| Workunit | 31575522 |
| Created | 23 Apr 2026, 13:22:24 UTC |
| Sent | 23 Apr 2026, 13:22:31 UTC |
| Report deadline | 28 Apr 2026, 13:22:31 UTC |
| Received | 23 Apr 2026, 13:27:18 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637617 |
| Run time | 1 min 26 sec |
| CPU time | 10 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,499.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 389.27 MB |
| Peak swap size | 9.23 GB |
| Peak disk usage | 3.01 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:25:32 (54608): wrapper (7.9.26016): starting
15:25:32 (54608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A31_0.pdb
QB_A30_A31_0.xml
QB_A30_A31.inpcrd
QB_A30_A31_input.yaml
QB_A30_A31.pdb
QB_A30_A31.prmtop
QB_A30_A31_sys.xml
run.bat
run.sh
15:25:33 (54608): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:25:33 (54608): 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 'X:\BOINC_Data\02_9002\slots\0\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 'X:\BOINC_Data\02_9002\slots\0\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 "X:\BOINC_Data\02_9002\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\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 "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "X:\BOINC_Data\02_9002\slots\0\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 "X:\BOINC_Data\02_9002\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "X:\BOINC_Data\02_9002\slots\0\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_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
15:26:02 (54608): C:/Windows/system32/cmd.exe exited; CPU time 10.750000
15:26:02 (54608): app exit status: 0x16
15:26:02 (54608): called boinc_finish(195)
0 bytes in 0 Free Blocks.
646 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: 641791 bytes.
Dumping objects ->
{3835638} normal block at 0x00000150F4C7E570, 48 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835627} normal block at 0x00000150F4C7ED50, 48 bytes long.
Data: <HOME=X:\BOINC_DA> 48 4F 4D 45 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835616} normal block at 0x00000150F2E68410, 48 bytes long.
Data: <TMP=X:\BOINC_DAT> 54 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835605} normal block at 0x00000150F2E684F0, 48 bytes long.
Data: <TEMP=X:\BOINC_DA> 54 45 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835594} normal block at 0x00000150F2E683A0, 48 bytes long.
Data: <TMPDIR=X:\BOINC_> 54 4D 50 44 49 52 3D 58 3A 5C 42 4F 49 4E 43 5F
{3835563} normal block at 0x00000150F4C68060, 64 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835552} normal block at 0x00000150F4C7D4C0, 195 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) : {3835549} normal block at 0x00000150F2E5EC10, 8 bytes long.
Data: < 1óP > 00 00 31 F3 50 01 00 00
{3834728} normal block at 0x00000150F4C7BEC0, 195 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x00000150F2E5E710, 8 bytes long.
Data: < µÌôP > 00 B5 CC F4 50 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000150F2E525F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000150F2E53A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000150F2E69210, 16 bytes long.
Data: < žæòP > 88 9E E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000150F2E68C70, 16 bytes long.
Data: <`žæòP > 60 9E E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000150F2E62900, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000150F2E68C20, 16 bytes long.
Data: <8žæòP > 38 9E E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000150F2E69710, 16 bytes long.
Data: < žæòP > 10 9E E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000150F2E69080, 16 bytes long.
Data: <è æòP > E8 9D E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000150F2E68BD0, 16 bytes long.
Data: <À æòP > C0 9D E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000150F2E68020, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000150F2E696C0, 16 bytes long.
Data: <è"æòP > E8 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000150F2E624E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000150F2E69670, 16 bytes long.
Data: <À"æòP > C0 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000150F2E68EA0, 16 bytes long.
Data: < "æòP > 98 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000150F2E68B30, 16 bytes long.
Data: <p"æòP > 70 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000150F2E68AE0, 16 bytes long.
Data: <H"æòP > 48 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000150F2E698A0, 16 bytes long.
Data: < "æòP > 20 22 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000150F2E69030, 16 bytes long.
Data: <ø!æòP > F8 21 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000150F2E62D20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000150F2E695D0, 16 bytes long.
Data: <Ð!æòP > D0 21 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000150F2E621D0, 320 bytes long.
Data: <ЕæòP -æòP > D0 95 E6 F2 50 01 00 00 20 2D E6 F2 50 01 00 00
{272} normal block at 0x00000150F2E69300, 16 bytes long.
Data: <  æòP > A0 9D E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000150F2E698F0, 16 bytes long.
Data: <x æòP > 78 9D E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000150F2E62EA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000150F2E69120, 16 bytes long.
Data: <P æòP > 50 9D E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000150F2E625A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000150F2E68E50, 16 bytes long.
Data: < œæòP > 98 9C E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000150F2E68FE0, 16 bytes long.
Data: <pœæòP > 70 9C E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000150F2E694E0, 16 bytes long.
Data: <HœæòP > 48 9C E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000150F2E68A40, 16 bytes long.
Data: < œæòP > 20 9C E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000150F2E69490, 16 bytes long.
Data: <ø›æòP > F8 9B E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000150F2E69850, 16 bytes long.
Data: <ЛæòP > D0 9B E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000150F2E689F0, 16 bytes long.
Data: <°†æòP > B0 86 E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000150F2E686B0, 40 bytes long.
Data: <ð‰æòP ` ÆôP > F0 89 E6 F2 50 01 00 00 60 80 C6 F4 50 01 00 00
{258} normal block at 0x00000150F2E69350, 16 bytes long.
Data: <°›æòP > B0 9B E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000150F2E69800, 16 bytes long.
Data: < ›æòP > 88 9B E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000150F2E63020, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000150F2E68F90, 16 bytes long.
Data: <`›æòP > 60 9B E6 F2 50 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000150F2E69B60, 992 bytes long.
Data: < æòP 0æòP > 90 8F E6 F2 50 01 00 00 20 30 E6 F2 50 01 00 00
{90} normal block at 0x00000150F2E631A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000150F2E5E8F0, 16 bytes long.
Data: <@!åòP > 40 21 E5 F2 50 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000150F2E52140, 40 bytes long.
Data: <ðèåòP  1æòP > F0 E8 E5 F2 50 01 00 00 A0 31 E6 F2 50 01 00 00
{67} normal block at 0x00000150F2E5F200, 16 bytes long.
Data: < êú¥÷ > 80 EA FA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000150F2E5ECB0, 16 bytes long.
Data: <@éú¥÷ > 40 E9 FA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000150F2E5F390, 16 bytes long.
Data: <øW÷¥÷ > F8 57 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000150F2E5E850, 16 bytes long.
Data: <ØW÷¥÷ > D8 57 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000150F2E5F520, 16 bytes long.
Data: <P ÷¥÷ > 50 04 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000150F2E5E7B0, 16 bytes long.
Data: <0 ÷¥÷ > 30 04 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000150F2E5EB20, 16 bytes long.
Data: <à ÷¥÷ > E0 02 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000150F2E5EE90, 16 bytes long.
Data: < ÷¥÷ > 10 04 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000150F2E5F570, 16 bytes long.
Data: <p ÷¥÷ > 70 04 F7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000150F2E5EA80, 16 bytes long.
Data: < Àõ¥÷ > 18 C0 F5 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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