Task 38615867
| Name | p38_2_A27_A18_r0_1-QUICO_ATM_GAFF2_NAGL_p38_2-0-6-RND7067_1 |
| Workunit | 31567863 |
| Created | 17 Apr 2026, 17:39:25 UTC |
| Sent | 17 Apr 2026, 17:45:39 UTC |
| Report deadline | 22 Apr 2026, 17:45:39 UTC |
| Received | 17 Apr 2026, 18:16:01 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 59 sec |
| CPU time | 14 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 | 488.69 MB |
| Peak swap size | 9.35 GB |
| Peak disk usage | 3.90 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
21:06:58 (8484): wrapper (7.9.26016): starting
21:06:58 (8484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A18_0.pdb
QB_A27_A18_0.xml
QB_A27_A18.inpcrd
QB_A27_A18_input.yaml
QB_A27_A18.pdb
QB_A27_A18.prmtop
QB_A27_A18_sys.xml
run.bat
run.sh
21:07:04 (8484): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:07:04 (8484): 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
21:07:43 (8484): C:/Windows/system32/cmd.exe exited; CPU time 14.843750
21:07:43 (8484): app exit status: 0x16
21:07:43 (8484): 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: 403593 bytes.
Dumping objects ->
{3835309} normal block at 0x000001FFD1010B50, 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 0x000001FFD1010E60, 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 0x000001FFD1011250, 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 0x000001FFD1010FB0, 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 0x000001FFD1010D10, 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 0x000001FFD10CAE50, 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 0x000001FFD11F4DC0, 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 0x000001FFCF5B6F80, 8 bytes long.
Data: < #Ñÿ > 00 00 23 D1 FF 01 00 00
{3834574} normal block at 0x000001FFD11F5360, 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 0x000001FFCF5B6490, 8 bytes long.
Data: <à \Ïÿ > E0 18 5C CF FF 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FFCF5C0D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FFCF5BC0C0, 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 0x000001FFCF5C2540, 16 bytes long.
Data: <¨4\Ïÿ > A8 34 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FFCF5C24A0, 16 bytes long.
Data: <€4\Ïÿ > 80 34 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FFCF5BD6A0, 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 0x000001FFCF5C2130, 16 bytes long.
Data: <X4\Ïÿ > 58 34 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FFCF5C28B0, 16 bytes long.
Data: <04\Ïÿ > 30 34 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FFCF5C2400, 16 bytes long.
Data: < 4\Ïÿ > 08 34 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FFCF5C2C20, 16 bytes long.
Data: <à3\Ïÿ > E0 33 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FFCF5BB160, 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 0x000001FFCF5C23B0, 16 bytes long.
Data: <¸ªZÏÿ > B8 AA 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FFCF5BD460, 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 0x000001FFCF5C2450, 16 bytes long.
Data: <ªZÏÿ > 90 AA 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FFCF5C2360, 16 bytes long.
Data: <hªZÏÿ > 68 AA 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FFCF5C2860, 16 bytes long.
Data: <@ªZÏÿ > 40 AA 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FFCF5C2090, 16 bytes long.
Data: < ªZÏÿ > 18 AA 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FFCF5C2040, 16 bytes long.
Data: <ð©ZÏÿ > F0 A9 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FFCF5C2810, 16 bytes long.
Data: <È©ZÏÿ > C8 A9 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FFCF5BD400, 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 0x000001FFCF5C27C0, 16 bytes long.
Data: < ©ZÏÿ > A0 A9 5A CF FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FFCF5AA9A0, 320 bytes long.
Data: <À'\Ïÿ Ô[Ïÿ > C0 27 5C CF FF 01 00 00 00 D4 5B CF FF 01 00 00
{269} normal block at 0x000001FFCF5C2310, 16 bytes long.
Data: <À3\Ïÿ > C0 33 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FFCF5C29A0, 16 bytes long.
Data: < 3\Ïÿ > 98 33 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FFCF5BD8E0, 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 0x000001FFCF5C2770, 16 bytes long.
Data: <p3\Ïÿ > 70 33 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FFCF5BD4C0, 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 0x000001FFCF5C1F50, 16 bytes long.
Data: <¸2\Ïÿ > B8 32 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FFCF5C1E60, 16 bytes long.
Data: <2\Ïÿ > 90 32 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FFCF5C2950, 16 bytes long.
Data: <h2\Ïÿ > 68 32 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FFCF5C1E10, 16 bytes long.
Data: <@2\Ïÿ > 40 32 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FFCF5C20E0, 16 bytes long.
Data: < 2\Ïÿ > 18 32 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FFCF5C26D0, 16 bytes long.
Data: <ð1\Ïÿ > F0 31 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FFCF5C2220, 16 bytes long.
Data: <°²[Ïÿ > B0 B2 5B CF FF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FFCF5BB2B0, 40 bytes long.
Data: < "\Ïÿ P® Ñÿ > 20 22 5C CF FF 01 00 00 50 AE 0C D1 FF 01 00 00
{255} normal block at 0x000001FFCF5C2630, 16 bytes long.
Data: <Ð1\Ïÿ > D0 31 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FFCF5C1FF0, 16 bytes long.
Data: <¨1\Ïÿ > A8 31 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FFCF5BDB80, 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 0x000001FFCF5C2D10, 16 bytes long.
Data: <€1\Ïÿ > 80 31 5C CF FF 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001FFCF5C3180, 992 bytes long.
Data: < -\Ïÿ €Û[Ïÿ > 10 2D 5C CF FF 01 00 00 80 DB 5B CF FF 01 00 00
{87} normal block at 0x000001FFCF5BD520, 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 0x000001FFCF5B62B0, 16 bytes long.
Data: <Àµ[Ïÿ > C0 B5 5B CF FF 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001FFCF5BB5C0, 40 bytes long.
Data: <°b[Ïÿ Õ[Ïÿ > B0 62 5B CF FF 01 00 00 20 D5 5B CF FF 01 00 00
{64} normal block at 0x000001FFCF5B6E90, 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 0x000001FFCF5B6BC0, 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 0x000001FFCF5B67B0, 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 0x000001FFCF5B68A0, 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 0x000001FFCF5B6B20, 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 0x000001FFCF5B6D50, 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 0x000001FFCF5B6AD0, 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 0x000001FFCF5B6B70, 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 0x000001FFCF5B6C60, 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 0x000001FFCF5B6850, 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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