Task 38624937
| Name | cdk8_A19_A03_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND2430_0 |
| Workunit | 31575267 |
| Created | 23 Apr 2026, 8:48:09 UTC |
| Sent | 23 Apr 2026, 8:48:14 UTC |
| Report deadline | 28 Apr 2026, 8:48:14 UTC |
| Received | 23 Apr 2026, 8:52:57 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 15 sec |
| CPU time | 5 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 | 406.15 MB |
| Peak swap size | 9.24 GB |
| Peak disk usage | 1.44 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>
10:49:17 (25048): wrapper (7.9.26016): starting
10:49:17 (25048): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A03_0.pdb
QB_A19_A03_0.xml
QB_A19_A03.inpcrd
QB_A19_A03_input.yaml
QB_A19_A03.pdb
QB_A19_A03.prmtop
QB_A19_A03_sys.xml
run.bat
run.sh
10:49:19 (25048): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:49:19 (25048): 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
10:49:39 (25048): C:/Windows/system32/cmd.exe exited; CPU time 5.656250
10:49:39 (25048): app exit status: 0x16
10:49:39 (25048): 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: 470571 bytes.
Dumping objects ->
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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 0x0000026C2C648710, 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 0x0000026C2A7968E0, 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 0x0000026C2A796870, 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 0x0000026C2A796720, 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 0x0000026C2C5B9F00, 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 0x0000026C2C614800, 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 0x0000026C2A78F1B0, 8 bytes long.
Data: < Æ*l > 00 00 C6 2A 6C 02 00 00
{3834728} normal block at 0x0000026C2C614600, 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 0x0000026C2A78E940, 8 bytes long.
Data: < T,l > 10 0D 54 2C 6C 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026C2A782C90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026C2A783B80, 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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{290} normal block at 0x0000026C2A792EB0, 32 bytes long.
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{289} normal block at 0x0000026C2A797370, 16 bytes long.
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{288} normal block at 0x0000026C2A796C40, 16 bytes long.
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{287} normal block at 0x0000026C2A797140, 16 bytes long.
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{286} normal block at 0x0000026C2A797320, 16 bytes long.
Data: < |y*l > 80 7C 79 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026C2A796950, 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 0x0000026C2A797780, 16 bytes long.
Data: <8 x*l > 38 0B 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C2A792250, 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 0x0000026C2A796A60, 16 bytes long.
Data: < x*l > 10 0B 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026C2A7970F0, 16 bytes long.
Data: <è x*l > E8 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026C2A797870, 16 bytes long.
Data: <À x*l > C0 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026C2A797280, 16 bytes long.
Data: < x*l > 98 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026C2A797050, 16 bytes long.
Data: <p x*l > 70 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C2A796CE0, 16 bytes long.
Data: <H x*l > 48 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026C2A792910, 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 0x0000026C2A796E20, 16 bytes long.
Data: < x*l > 20 0A 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026C2A780A20, 320 bytes long.
Data: < ny*l )y*l > 20 6E 79 2A 6C 02 00 00 10 29 79 2A 6C 02 00 00
{272} normal block at 0x0000026C2A7974B0, 16 bytes long.
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{271} normal block at 0x0000026C2A7977D0, 16 bytes long.
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{270} normal block at 0x0000026C2A792370, 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 0x0000026C2A7979B0, 16 bytes long.
Data: < |y*l > 10 7C 79 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026C2A792D90, 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 0x0000026C2A7972D0, 16 bytes long.
Data: <X{y*l > 58 7B 79 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026C2A797910, 16 bytes long.
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{264} normal block at 0x0000026C2A796DD0, 16 bytes long.
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{263} normal block at 0x0000026C2A796FB0, 16 bytes long.
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{262} normal block at 0x0000026C2A797690, 16 bytes long.
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{260} normal block at 0x0000026C2A796C90, 16 bytes long.
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{259} normal block at 0x0000026C2A796560, 40 bytes long.
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{258} normal block at 0x0000026C2A797640, 16 bytes long.
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{257} normal block at 0x0000026C2A796BF0, 16 bytes long.
Data: <Hzy*l > 48 7A 79 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026C2A7922B0, 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 0x0000026C2A796F10, 16 bytes long.
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{254} normal block at 0x0000026C2A797A20, 992 bytes long.
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{90} normal block at 0x0000026C2A7928B0, 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 0x0000026C2A78F480, 16 bytes long.
Data: <p x*l > 70 1C 78 2A 6C 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000026C2A781C70, 40 bytes long.
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{67} normal block at 0x0000026C2A78F110, 16 bytes long.
Data: < êέö > 80 EA CE AD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026C2A78EDF0, 16 bytes long.
Data: <@éέö > 40 E9 CE AD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026C2A78EDA0, 16 bytes long.
Data: <øWË­ö > F8 57 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026C2A78EA30, 16 bytes long.
Data: <ØWË­ö > D8 57 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026C2A78F070, 16 bytes long.
Data: <P Ë­ö > 50 04 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026C2A78ED00, 16 bytes long.
Data: <0 Ë­ö > 30 04 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026C2A78EB70, 16 bytes long.
Data: <à Ë­ö > E0 02 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026C2A78F020, 16 bytes long.
Data: < Ë­ö > 10 04 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026C2A78EC10, 16 bytes long.
Data: <p Ë­ö > 70 04 CB AD F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026C2A78E9E0, 16 bytes long.
Data: < ÀÉ­ö > 18 C0 C9 AD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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