Task 38625229
| Name | hif2a_2_A38_A40_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND5475_1 |
| Workunit | 31575434 |
| Created | 23 Apr 2026, 12:11:46 UTC |
| Sent | 23 Apr 2026, 12:11:51 UTC |
| Report deadline | 28 Apr 2026, 12:11:51 UTC |
| Received | 23 Apr 2026, 12:14:57 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 11 sec |
| CPU time | 3 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 | 228.41 MB |
| Peak swap size | 9.07 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>
14:13:30 (50796): wrapper (7.9.26016): starting
14:13:30 (50796): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A38_A40_0.pdb
QB_A38_A40_0.xml
QB_A38_A40.inpcrd
QB_A38_A40_input.yaml
QB_A38_A40.pdb
QB_A38_A40.prmtop
QB_A38_A40_sys.xml
run.bat
run.sh
14:13:31 (50796): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:13:31 (50796): 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
14:13:47 (50796): C:/Windows/system32/cmd.exe exited; CPU time 3.750000
14:13:47 (50796): app exit status: 0x16
14:13:47 (50796): 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: 472667 bytes.
Dumping objects ->
{3835638} normal block at 0x000001FCB5E38940, 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 0x000001FCB5E38A90, 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 0x000001FCB41753A0, 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 0x000001FCB4175330, 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 0x000001FCB41759C0, 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 0x000001FCB5DEB9F0, 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 0x000001FCB5DF9A50, 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 0x000001FCB416DAB0, 8 bytes long.
Data: < ´ü > 00 00 12 B4 FC 01 00 00
{3834728} normal block at 0x000001FCB5DF9950, 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 0x000001FCB416DE70, 8 bytes long.
Data: <°¯ßµü > B0 AF DF B5 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001FCB4161DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FCB415F330, 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 0x000001FCB4176040, 16 bytes long.
Data: <Øo ´ü > D8 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FCB4175D20, 16 bytes long.
Data: <°o ´ü > B0 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FCB4171760, 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 0x000001FCB4175EB0, 16 bytes long.
Data: < o ´ü > 88 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FCB41761D0, 16 bytes long.
Data: <`o ´ü > 60 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCB4175CD0, 16 bytes long.
Data: <8o ´ü > 38 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCB4176950, 16 bytes long.
Data: < o ´ü > 10 6F 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FCB41755D0, 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 0x000001FCB41767C0, 16 bytes long.
Data: <8 ´ü > 38 0C 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FCB41714C0, 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 0x000001FCB4176770, 16 bytes long.
Data: < ´ü > 10 0C 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCB4175C80, 16 bytes long.
Data: <è ´ü > E8 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCB4175B90, 16 bytes long.
Data: <À ´ü > C0 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FCB41765E0, 16 bytes long.
Data: < ´ü > 98 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FCB4175BE0, 16 bytes long.
Data: <p ´ü > 70 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FCB4176450, 16 bytes long.
Data: <H ´ü > 48 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCB41718E0, 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 0x000001FCB41764F0, 16 bytes long.
Data: < ´ü > 20 0B 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCB4170B20, 320 bytes long.
Data: <ðd ´ü à ´ü > F0 64 17 B4 FC 01 00 00 E0 18 17 B4 FC 01 00 00
{272} normal block at 0x000001FCB41762C0, 16 bytes long.
Data: <ðn ´ü > F0 6E 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FCB4176220, 16 bytes long.
Data: <Èn ´ü > C8 6E 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FCB4171700, 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 0x000001FCB4176900, 16 bytes long.
Data: < n ´ü > A0 6E 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCB4171280, 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 0x000001FCB4175F50, 16 bytes long.
Data: <èm ´ü > E8 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCB4176590, 16 bytes long.
Data: <Àm ´ü > C0 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FCB4176180, 16 bytes long.
Data: < m ´ü > 98 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FCB41768B0, 16 bytes long.
Data: <pm ´ü > 70 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCB4175B40, 16 bytes long.
Data: <Hm ´ü > 48 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FCB4176090, 16 bytes long.
Data: < m ´ü > 20 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FCB4176A40, 16 bytes long.
Data: <`U ´ü > 60 55 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FCB4175560, 40 bytes long.
Data: <@j ´ü ð¹Þµü > 40 6A 17 B4 FC 01 00 00 F0 B9 DE B5 FC 01 00 00
{258} normal block at 0x000001FCB41764A0, 16 bytes long.
Data: < m ´ü > 00 6D 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FCB4176130, 16 bytes long.
Data: <Øl ´ü > D8 6C 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FCB4171220, 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 0x000001FCB4175E60, 16 bytes long.
Data: <°l ´ü > B0 6C 17 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FCB4176CB0, 992 bytes long.
Data: <`^ ´ü ´ü > 60 5E 17 B4 FC 01 00 00 20 12 17 B4 FC 01 00 00
{90} normal block at 0x000001FCB4171940, 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 0x000001FCB416D920, 16 bytes long.
Data: < â ´ü > A0 E2 15 B4 FC 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001FCB415E2A0, 40 bytes long.
Data: < Ù ´ü @ ´ü > 20 D9 16 B4 FC 01 00 00 40 19 17 B4 FC 01 00 00
{67} normal block at 0x000001FCB416DA60, 16 bytes long.
Data: < ê½ ÷ > 80 EA BD 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FCB416E460, 16 bytes long.
Data: <@é½ ÷ > 40 E9 BD 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FCB416DA10, 16 bytes long.
Data: <øWº ÷ > F8 57 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FCB416DD80, 16 bytes long.
Data: <ØWº ÷ > D8 57 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FCB416DC40, 16 bytes long.
Data: <P º ÷ > 50 04 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FCB416DD30, 16 bytes long.
Data: <0 º ÷ > 30 04 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FCB416D5B0, 16 bytes long.
Data: <à º ÷ > E0 02 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FCB416D790, 16 bytes long.
Data: < º ÷ > 10 04 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FCB416DCE0, 16 bytes long.
Data: <p º ÷ > 70 04 BA 08 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FCB416E190, 16 bytes long.
Data: < À¸ ÷ > 18 C0 B8 08 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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