Task 38610973
| Name | MCL1_A08_A40_r0_4-QUICO_ATM_OpenFF_MCL1-2-6-RND6659_1 |
| Workunit | 31562894 |
| Created | 15 Apr 2026, 14:42:40 UTC |
| Sent | 15 Apr 2026, 14:42:45 UTC |
| Report deadline | 20 Apr 2026, 14:42:45 UTC |
| Received | 16 Apr 2026, 0:48:48 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 44 sec |
| CPU time | 19 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 | 280.52 MB |
| Peak swap size | 9.12 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
03:45:27 (8936): wrapper (7.9.26016): starting
03:45:27 (8936): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A40_0.pdb
QB_A08_A40_0.xml
QB_A08_A40.inpcrd
QB_A08_A40_input.yaml
QB_A08_A40.pdb
QB_A08_A40.prmtop
QB_A08_A40_sys.xml
run.bat
run.sh
03:45:30 (8936): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:45:30 (8936): 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
03:46:38 (8936): C:/Windows/system32/cmd.exe exited; CPU time 19.953125
03:46:38 (8936): app exit status: 0x16
03:46:38 (8936): 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: 596201 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x00000271AEA20E60, 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 0x00000271AEA20D10, 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 0x00000271AEA215D0, 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 0x00000271AEA213A0, 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 0x00000271AEACBC40, 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 0x00000271AEBE3710, 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 0x00000271ACDD6E90, 8 bytes long.
Data: < Û¬q > 00 00 DB AC 71 02 00 00
{3834574} normal block at 0x00000271AEBE4250, 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 0x00000271ACDD68F0, 8 bytes long.
Data: <p暪q > 70 B5 DC AC 71 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000271ACDE2280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000271ACDDC240, 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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{288} normal block at 0x00000271ACDE3720, 16 bytes long.
Data: <DÞ¬q > 90 44 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000271ACDDDCA0, 32 bytes long.
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{286} normal block at 0x00000271ACDE3590, 16 bytes long.
Data: <hDެq > 68 44 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000271ACDE4030, 16 bytes long.
Data: <@Dެq > 40 44 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000271ACDE3D60, 16 bytes long.
Data: < Dެq > 18 44 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000271ACDE3540, 16 bytes long.
Data: <ðCÞ¬q > F0 43 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000271ACDDAFA0, 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 0x00000271ACDE34A0, 16 bytes long.
Data: <ØÁݬq > D8 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000271ACDDDA60, 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 0x00000271ACDE3DB0, 16 bytes long.
Data: <°Áݬq > B0 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000271ACDE3D10, 16 bytes long.
Data: < Áݬq > 88 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000271ACDE3360, 16 bytes long.
Data: <`Áݬq > 60 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000271ACDE3310, 16 bytes long.
Data: <8Áݬq > 38 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000271ACDE3F40, 16 bytes long.
Data: < Áݬq > 10 C1 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000271ACDE3BD0, 16 bytes long.
Data: <èÀݬq > E8 C0 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000271ACDDD460, 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 0x00000271ACDE3450, 16 bytes long.
Data: <ÀÀݬq > C0 C0 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000271ACDDC0C0, 320 bytes long.
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{269} normal block at 0x00000271ACDE32C0, 16 bytes long.
Data: <ÐCÞ¬q > D0 43 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000271ACDE3E50, 16 bytes long.
Data: <¨CÞ¬q > A8 43 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271ACDDDD00, 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 0x00000271ACDE3400, 16 bytes long.
Data: <€CÞ¬q > 80 43 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271ACDDDEE0, 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 0x00000271ACDE3B80, 16 bytes long.
Data: <ÈBÞ¬q > C8 42 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000271ACDE36D0, 16 bytes long.
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{262} normal block at 0x00000271ACDE3680, 16 bytes long.
Data: <xBެq > 78 42 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000271ACDE3900, 16 bytes long.
Data: <PBެq > 50 42 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000271ACDE33B0, 16 bytes long.
Data: <(Bެq > 28 42 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000271ACDE3EF0, 16 bytes long.
Data: < Bެq > 00 42 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000271ACDE3270, 16 bytes long.
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{256} normal block at 0x00000271ACDDB400, 40 bytes long.
Data: <p2Þ¬q @¼¬®q > 70 32 DE AC 71 02 00 00 40 BC AC AE 71 02 00 00
{255} normal block at 0x00000271ACDE4120, 16 bytes long.
Data: <àAÞ¬q > E0 41 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000271ACDE3860, 16 bytes long.
Data: <¸AÞ¬q > B8 41 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000271ACDDD8E0, 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 0x00000271ACDE40D0, 16 bytes long.
Data: <AÞ¬q > 90 41 DE AC 71 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000271ACDE4190, 992 bytes long.
Data: <Ð@Þ¬q àØݬq > D0 40 DE AC 71 02 00 00 E0 D8 DD AC 71 02 00 00
{87} normal block at 0x00000271ACDDDBE0, 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 0x00000271ACDD6210, 16 bytes long.
Data: <€°Ý¬q > 80 B0 DD AC 71 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000271ACDDB080, 40 bytes long.
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{64} normal block at 0x00000271ACDD66C0, 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 0x00000271ACDD67B0, 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 0x00000271ACDD6DA0, 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 0x00000271ACDD6300, 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 0x00000271ACDD70C0, 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 0x00000271ACDD6580, 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 0x00000271ACDD6850, 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 0x00000271ACDD6B70, 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 0x00000271ACDD6FD0, 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 0x00000271ACDD6760, 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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