Task 38616220
| Name | hif2a_2_A33_A12_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND1047_0 |
| Workunit | 31568186 |
| Created | 17 Apr 2026, 19:00:14 UTC |
| Sent | 17 Apr 2026, 19:00:17 UTC |
| Report deadline | 22 Apr 2026, 19:00:17 UTC |
| Received | 17 Apr 2026, 19:08:54 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 1 min 34 sec |
| CPU time | 20 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 10,692.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 324.60 MB |
| Peak swap size | 9.17 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
22:05:22 (1836): wrapper (7.9.26016): starting
22:05:22 (1836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A12_0.pdb
QB_A33_A12_0.xml
QB_A33_A12.inpcrd
QB_A33_A12_input.yaml
QB_A33_A12.pdb
QB_A33_A12.prmtop
QB_A33_A12_sys.xml
run.bat
run.sh
22:05:25 (1836): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:25 (1836): 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 'C:\ProgramData\BOINC\slots\14\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 'C:\ProgramData\BOINC\slots\14\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 "C:\ProgramData\BOINC\slots\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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 "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\14\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 "C:\ProgramData\BOINC\slots\14\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
22:06:20 (1836): C:/Windows/system32/cmd.exe exited; CPU time 20.437500
22:06:20 (1836): app exit status: 0x16
22:06:20 (1836): called boinc_finish(195)
0 bytes in 0 Free Blocks.
616 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: 532293 bytes.
Dumping objects ->
{3835309} normal block at 0x0000023CE69B0FB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x0000023CE69B1640, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x0000023CE69B1100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835276} normal block at 0x0000023CE69B12C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x0000023CE69B11E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835234} normal block at 0x0000023CE6A5CBD0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000023CE69F8740, 180 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) : {3835220} normal block at 0x0000023CE4D06DC0, 8 bytes long.
Data: < Æä< > 00 00 C6 E4 3C 02 00 00
{3834574} normal block at 0x0000023CE69F81A0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000023CE4D06B40, 8 bytes long.
Data: <° «æ< > B0 98 AB E6 3C 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000023CE4D124A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023CE4CF6200, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000023CE4D13760, 16 bytes long.
Data: <ØFÑä< > D8 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023CE4D14160, 16 bytes long.
Data: <°FÑä< > B0 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023CE4D0D790, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000023CE4D142A0, 16 bytes long.
Data: < FÑä< > 88 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023CE4D13D50, 16 bytes long.
Data: <`FÑä< > 60 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023CE4D134E0, 16 bytes long.
Data: <8FÑä< > 38 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023CE4D14110, 16 bytes long.
Data: < FÑä< > 10 46 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023CE4D0EB40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000023CE4D140C0, 16 bytes long.
Data: <HÃÐä< > 48 C3 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023CE4D0DB50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000023CE4D13C10, 16 bytes long.
Data: < ÃÐä< > 20 C3 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023CE4D14020, 16 bytes long.
Data: <øÂÐä< > F8 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023CE4D13670, 16 bytes long.
Data: <ÐÂÐä< > D0 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023CE4D13EE0, 16 bytes long.
Data: <¨ÂÐä< > A8 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023CE4D14070, 16 bytes long.
Data: <€ÂÐä< > 80 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023CE4D13E90, 16 bytes long.
Data: <XÂÐä< > 58 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023CE4D0DAF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000023CE4D13DF0, 16 bytes long.
Data: <0ÂÐä< > 30 C2 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023CE4D0C230, 320 bytes long.
Data: <ð=Ñä< ðÚÐä< > F0 3D D1 E4 3C 02 00 00 F0 DA D0 E4 3C 02 00 00
{269} normal block at 0x0000023CE4D13490, 16 bytes long.
Data: <ðEÑä< > F0 45 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023CE4D13AD0, 16 bytes long.
Data: <ÈEÑä< > C8 45 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023CE4D0DCD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000023CE4D13A80, 16 bytes long.
Data: < EÑä< > A0 45 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023CE4D0DA90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000023CE4D13B20, 16 bytes long.
Data: <èDÑä< > E8 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023CE4D13D00, 16 bytes long.
Data: <ÀDÑä< > C0 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023CE4D135D0, 16 bytes long.
Data: < DÑä< > 98 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023CE4D136C0, 16 bytes long.
Data: <pDÑä< > 70 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023CE4D13DA0, 16 bytes long.
Data: <HDÑä< > 48 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023CE4D13B70, 16 bytes long.
Data: < DÑä< > 20 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023CE4D13F80, 16 bytes long.
Data: <åÐä< > 90 E5 D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023CE4D0E590, 40 bytes long.
Data: <€?Ñä< ÐË¥æ< > 80 3F D1 E4 3C 02 00 00 D0 CB A5 E6 3C 02 00 00
{255} normal block at 0x0000023CE4D13940, 16 bytes long.
Data: < DÑä< > 00 44 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023CE4D13530, 16 bytes long.
Data: <ØCÑä< > D8 43 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023CE4D0D730, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000023CE4D133F0, 16 bytes long.
Data: <°CÑä< > B0 43 D1 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000023CE4D143B0, 992 bytes long.
Data: <ð3Ñä< 0×Ðä< > F0 33 D1 E4 3C 02 00 00 30 D7 D0 E4 3C 02 00 00
{87} normal block at 0x0000023CE4D0D490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000023CE4D07130, 16 bytes long.
Data: <`êÐä< > 60 EA D0 E4 3C 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000023CE4D0EA60, 40 bytes long.
Data: <0qÐä< ÔÐä< > 30 71 D0 E4 3C 02 00 00 90 D4 D0 E4 3C 02 00 00
{64} normal block at 0x0000023CE4D06500, 16 bytes long.
Data: <€ê,'ö > 80 EA 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023CE4D06A00, 16 bytes long.
Data: <@é,'ö > 40 E9 2C 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023CE4D06B90, 16 bytes long.
Data: <øW)'ö > F8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023CE4D065A0, 16 bytes long.
Data: <ØW)'ö > D8 57 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023CE4D065F0, 16 bytes long.
Data: <P )'ö > 50 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023CE4D06460, 16 bytes long.
Data: <0 )'ö > 30 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023CE4D068C0, 16 bytes long.
Data: <à )'ö > E0 02 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023CE4D06AF0, 16 bytes long.
Data: < )'ö > 10 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023CE4D06820, 16 bytes long.
Data: <p )'ö > 70 04 29 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023CE4D07180, 16 bytes long.
Data: < À''ö > 18 C0 27 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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