Task 38625050
| Name | cdk8_A31_A18_r0_1-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND9789_0 |
| Workunit | 31575366 |
| Created | 23 Apr 2026, 9:00:31 UTC |
| Sent | 23 Apr 2026, 9:00:36 UTC |
| Report deadline | 28 Apr 2026, 9:00:36 UTC |
| Received | 23 Apr 2026, 9:07:11 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 14 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 | 993.23 MB |
| Peak swap size | 9.84 GB |
| Peak disk usage | 1.52 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>
11:04:21 (27876): wrapper (7.9.26016): starting
11:04:21 (27876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A18_0.pdb
QB_A31_A18_0.xml
QB_A31_A18.inpcrd
QB_A31_A18_input.yaml
QB_A31_A18.pdb
QB_A31_A18.prmtop
QB_A31_A18_sys.xml
run.bat
run.sh
11:04:22 (27876): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:04:22 (27876): 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
11:04:42 (27876): C:/Windows/system32/cmd.exe exited; CPU time 5.515625
11:04:42 (27876): app exit status: 0x16
11:04:42 (27876): 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: 469227 bytes.
Dumping objects ->
{3835638} normal block at 0x0000015E5A4707B0, 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 0x0000015E5A470F90, 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 0x0000015E586C6750, 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 0x0000015E586C6E50, 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 0x0000015E586C6AD0, 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 0x0000015E5A4EB700, 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 0x0000015E5A4FB1E0, 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 0x0000015E586BF890, 8 bytes long.
Data: < iX^ > 00 00 69 58 5E 01 00 00
{3834728} normal block at 0x0000015E5A4F99E0, 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 0x0000015E586BF610, 8 bytes long.
Data: <°è?Z^ > B0 E8 3F 5A 5E 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000015E586B2550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015E586B37A0, 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 0x0000015E586C2990, 32 bytes long.
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{289} normal block at 0x0000015E586C7870, 16 bytes long.
Data: <ø lX^ > F8 81 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015E586C7E10, 16 bytes long.
Data: <Ð lX^ > D0 81 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015E586C73C0, 16 bytes long.
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{286} normal block at 0x0000015E586C7AA0, 16 bytes long.
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{285} normal block at 0x0000015E586C6D00, 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 0x0000015E586C7370, 16 bytes long.
Data: < $kX^ > 18 24 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015E586C3350, 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 0x0000015E586C7050, 16 bytes long.
Data: <ð#kX^ > F0 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015E586C7640, 16 bytes long.
Data: <È#kX^ > C8 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015E586C7820, 16 bytes long.
Data: < #kX^ > A0 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015E586C7BE0, 16 bytes long.
Data: <x#kX^ > 78 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015E586C77D0, 16 bytes long.
Data: <P#kX^ > 50 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015E586C7B90, 16 bytes long.
Data: <(#kX^ > 28 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015E586C2F90, 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 0x0000015E586C7000, 16 bytes long.
Data: < #kX^ > 00 23 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015E586B2300, 320 bytes long.
Data: < plX^ /lX^ > 00 70 6C 58 5E 01 00 00 90 2F 6C 58 5E 01 00 00
{272} normal block at 0x0000015E586C7E60, 16 bytes long.
Data: <` lX^ > 60 81 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015E586C7550, 16 bytes long.
Data: <8 lX^ > 38 81 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015E586C2810, 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 0x0000015E586C7B40, 16 bytes long.
Data: < lX^ > 10 81 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015E586C2870, 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 0x0000015E586C7320, 16 bytes long.
Data: <X lX^ > 58 80 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015E586C7EB0, 16 bytes long.
Data: <0 lX^ > 30 80 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015E586C75A0, 16 bytes long.
Data: < lX^ > 08 80 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015E586C7500, 16 bytes long.
Data: <à lX^ > E0 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015E586C72D0, 16 bytes long.
Data: <¸ lX^ > B8 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015E586C76E0, 16 bytes long.
Data: < lX^ > 90 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015E586C74B0, 16 bytes long.
Data: <ÀglX^ > C0 67 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015E586C67C0, 40 bytes long.
Data: <°tlX^ ·NZ^ > B0 74 6C 58 5E 01 00 00 00 B7 4E 5A 5E 01 00 00
{258} normal block at 0x0000015E586C75F0, 16 bytes long.
Data: <p lX^ > 70 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015E586C7140, 16 bytes long.
Data: <H lX^ > 48 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000015E586C3230, 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 0x0000015E586C71E0, 16 bytes long.
Data: < lX^ > 20 7F 6C 58 5E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000015E586C7F20, 992 bytes long.
Data: <àqlX^ 02lX^ > E0 71 6C 58 5E 01 00 00 30 32 6C 58 5E 01 00 00
{90} normal block at 0x0000015E586C2AB0, 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 0x0000015E586BF7F0, 16 bytes long.
Data: <  kX^ > A0 0A 6B 58 5E 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000015E586B0AA0, 40 bytes long.
Data: <ð÷kX^ °*lX^ > F0 F7 6B 58 5E 01 00 00 B0 2A 6C 58 5E 01 00 00
{67} normal block at 0x0000015E586BF840, 16 bytes long.
Data: < êª\ö > 80 EA AA 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015E586BEE90, 16 bytes long.
Data: <@éª\ö > 40 E9 AA 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015E586BF110, 16 bytes long.
Data: <øW§\ö > F8 57 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015E586BF430, 16 bytes long.
Data: <ØW§\ö > D8 57 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015E586BFA20, 16 bytes long.
Data: <P §\ö > 50 04 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015E586BFBB0, 16 bytes long.
Data: <0 §\ö > 30 04 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015E586BF390, 16 bytes long.
Data: <à §\ö > E0 02 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000015E586BFA70, 16 bytes long.
Data: < §\ö > 10 04 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000015E586BF020, 16 bytes long.
Data: <p §\ö > 70 04 A7 5C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000015E586BF0C0, 16 bytes long.
Data: < À¥\ö > 18 C0 A5 5C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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