Task 38625119
| Name | PTP1B_A21_A07_r0_1-QUICO_ATM_OpenFF23_NAGL_PTP1B-0-6-RND9639_1 |
| Workunit | 31575152 |
| Created | 23 Apr 2026, 9:11:52 UTC |
| Sent | 23 Apr 2026, 9:12:07 UTC |
| Report deadline | 28 Apr 2026, 9:12:07 UTC |
| Received | 23 Apr 2026, 9:14:33 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 8 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 | 41.23 MB |
| Peak swap size | 29.89 MB |
| Peak disk usage | 1.42 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>
11:13:11 (17816): wrapper (7.9.26016): starting
11:13:11 (17816): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A07_0.pdb
QB_A21_A07_0.xml
QB_A21_A07.inpcrd
QB_A21_A07_input.yaml
QB_A21_A07.pdb
QB_A21_A07.prmtop
QB_A21_A07_sys.xml
run.bat
run.sh
11:13:12 (17816): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:12 (17816): 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
11:13:24 (17816): C:/Windows/system32/cmd.exe exited; CPU time 5.671875
11:13:24 (17816): app exit status: 0x16
11:13:24 (17816): 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: 470755 bytes.
Dumping objects ->
{3835638} normal block at 0x0000013785029B80, 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 0x0000013785029C60, 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 0x0000013785004CE0, 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 0x0000013785004C00, 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 0x0000013785004880, 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 0x0000013786E14EC0, 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 0x0000013786EA50F0, 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 0x0000013784FFD770, 8 bytes long.
Data: < V…7 > 00 00 56 85 37 01 00 00
{3834728} normal block at 0x0000013786EA52F0, 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 0x0000013784FFD4F0, 8 bytes long.
Data: <0Zç†7 > 30 5A E7 86 37 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000013784FF1F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000013784FEF770, 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 0x00000137850055C0, 16 bytes long.
Data: <(f …7 > 28 66 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000137850061F0, 16 bytes long.
Data: < f …7 > 00 66 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013785000AB0, 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 0x00000137850061A0, 16 bytes long.
Data: <Øe …7 > D8 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000013785005F20, 16 bytes long.
Data: <°e …7 > B0 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013785006100, 16 bytes long.
Data: < e …7 > 88 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013785005C00, 16 bytes long.
Data: <`e …7 > 60 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000137850047A0, 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 0x0000013785006060, 16 bytes long.
Data: <( ÿ„7 > 28 0D FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000013785001350, 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 0x00000137850059D0, 16 bytes long.
Data: < ÿ„7 > 00 0D FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000137850060B0, 16 bytes long.
Data: <Ø ÿ„7 > D8 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013785006290, 16 bytes long.
Data: <° ÿ„7 > B0 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000137850057F0, 16 bytes long.
Data: < ÿ„7 > 88 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013785005B10, 16 bytes long.
Data: <` ÿ„7 > 60 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000013785005DE0, 16 bytes long.
Data: <8 ÿ„7 > 38 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000137850015F0, 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 0x0000013785005700, 16 bytes long.
Data: < ÿ„7 > 10 0C FF 84 37 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000013784FF0C10, 320 bytes long.
Data: < W …7 ð …7 > 00 57 00 85 37 01 00 00 F0 15 00 85 37 01 00 00
{272} normal block at 0x00000137850054D0, 16 bytes long.
Data: <@e …7 > 40 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000013785006240, 16 bytes long.
Data: < e …7 > 18 65 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000137850014D0, 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 0x0000013785005CF0, 16 bytes long.
Data: <ðd …7 > F0 64 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000013785001650, 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 0x0000013785006010, 16 bytes long.
Data: <8d …7 > 38 64 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013785005FC0, 16 bytes long.
Data: < d …7 > 10 64 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000013785005BB0, 16 bytes long.
Data: <èc …7 > E8 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013785005480, 16 bytes long.
Data: <Àc …7 > C0 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013785005CA0, 16 bytes long.
Data: < c …7 > 98 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000013785005890, 16 bytes long.
Data: <pc …7 > 70 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000013785005D40, 16 bytes long.
Data: <`I …7 > 60 49 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000013785004960, 40 bytes long.
Data: <@] …7 ÀNá†7 > 40 5D 00 85 37 01 00 00 C0 4E E1 86 37 01 00 00
{258} normal block at 0x0000013785005A70, 16 bytes long.
Data: <Pc …7 > 50 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000013785005AC0, 16 bytes long.
Data: <(c …7 > 28 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000013785000C30, 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 0x0000013785005840, 16 bytes long.
Data: < c …7 > 00 63 00 85 37 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000013785006300, 992 bytes long.
Data: <@X …7 0 …7 > 40 58 00 85 37 01 00 00 30 0C 00 85 37 01 00 00
{90} normal block at 0x0000013785001530, 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 0x0000013784FFD3B0, 16 bytes long.
Data: < Óþ„7 > 10 D3 FE 84 37 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000013784FED310, 40 bytes long.
Data: <°Óÿ„7 0 …7 > B0 D3 FF 84 37 01 00 00 30 15 00 85 37 01 00 00
{67} normal block at 0x0000013784FFD130, 16 bytes long.
Data: < ê?…÷ > 80 EA 3F 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000013784FFD5E0, 16 bytes long.
Data: <@é?…÷ > 40 E9 3F 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000013784FFD630, 16 bytes long.
Data: <øW<…÷ > F8 57 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000013784FFCE60, 16 bytes long.
Data: <ØW<…÷ > D8 57 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000013784FFD540, 16 bytes long.
Data: <P <…÷ > 50 04 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000013784FFDCC0, 16 bytes long.
Data: <0 <…÷ > 30 04 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000013784FFD0E0, 16 bytes long.
Data: <à <…÷ > E0 02 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000013784FFDA40, 16 bytes long.
Data: < <…÷ > 10 04 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000013784FFCFF0, 16 bytes long.
Data: <p <…÷ > 70 04 3C 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000013784FFDC70, 16 bytes long.
Data: < À:…÷ > 18 C0 3A 85 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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