Task 38616498
| Name | p38_A27_A15_r0_5-QUICO_ATM_OpenFF_p38-5-6-RND8549_1 |
| Workunit | 31567233 |
| Created | 17 Apr 2026, 20:56:41 UTC |
| Sent | 17 Apr 2026, 20:56:48 UTC |
| Report deadline | 22 Apr 2026, 20:56:48 UTC |
| Received | 17 Apr 2026, 21:09:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607118 |
| Run time | 4 min 3 sec |
| CPU time | 50 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 | 467.65 MB |
| Peak swap size | 9.31 GB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
00:06:03 (600): wrapper (7.9.26016): starting
00:06:03 (600): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A15_0.pdb
QB_A27_A15_0.xml
QB_A27_A15.inpcrd
QB_A27_A15_input.yaml
QB_A27_A15.pdb
QB_A27_A15.prmtop
QB_A27_A15_sys.xml
run.bat
run.sh
00:06:06 (600): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:06:06 (600): 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
00:07:33 (600): C:/Windows/system32/cmd.exe exited; CPU time 50.375000
00:07:33 (600): app exit status: 0x16
00:07:33 (600): 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: 743569 bytes.
Dumping objects ->
{3835309} normal block at 0x000001F11D9B0DF0, 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 0x000001F11D9B0D80, 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 0x000001F11D9B1330, 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 0x000001F11D9B0FB0, 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 0x000001F11D9B1100, 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 0x000001F11DA5B440, 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 0x000001F11D9BA780, 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 0x000001F11BE97280, 8 bytes long.
Data: < Þ ñ > 00 00 DE 1B F1 01 00 00
{3834574} normal block at 0x000001F11D9BA1E0, 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 0x000001F11BE96BF0, 8 bytes long.
Data: <Ð…¢ ñ > D0 85 A2 1D F1 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F11BEA12D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F11BE85BE0, 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 0x000001F11BEA24F0, 16 bytes long.
Data: <È3ê ñ > C8 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F11BEA2C20, 16 bytes long.
Data: < 3ê ñ > A0 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F11BE9E000, 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 0x000001F11BEA2680, 16 bytes long.
Data: <x3ê ñ > 78 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F11BEA2BD0, 16 bytes long.
Data: <P3ê ñ > 50 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F11BEA24A0, 16 bytes long.
Data: <(3ê ñ > 28 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F11BEA2810, 16 bytes long.
Data: < 3ê ñ > 00 33 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F11BE9EB70, 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 0x000001F11BEA2720, 16 bytes long.
Data: <x[è ñ > 78 5B E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F11BE9DDC0, 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 0x000001F11BEA25E0, 16 bytes long.
Data: <P[è ñ > 50 5B E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F11BEA29F0, 16 bytes long.
Data: <([è ñ > 28 5B E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F11BEA29A0, 16 bytes long.
Data: < [è ñ > 00 5B E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F11BEA2450, 16 bytes long.
Data: <ØZè ñ > D8 5A E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F11BEA2400, 16 bytes long.
Data: <°Zè ñ > B0 5A E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F11BEA2B80, 16 bytes long.
Data: < Zè ñ > 88 5A E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F11BE9DA00, 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 0x000001F11BEA2360, 16 bytes long.
Data: <`Zè ñ > 60 5A E8 1B F1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F11BE85A60, 320 bytes long.
Data: <`#ê ñ Úé ñ > 60 23 EA 1B F1 01 00 00 00 DA E9 1B F1 01 00 00
{269} normal block at 0x000001F11BEA2950, 16 bytes long.
Data: <à2ê ñ > E0 32 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F11BEA2590, 16 bytes long.
Data: <¸2ê ñ > B8 32 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F11BE9DBE0, 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 0x000001F11BEA2220, 16 bytes long.
Data: <2ê ñ > 90 32 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F11BE9D4C0, 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 0x000001F11BEA3030, 16 bytes long.
Data: <Ø1ê ñ > D8 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F11BEA2310, 16 bytes long.
Data: <°1ê ñ > B0 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F11BEA2E00, 16 bytes long.
Data: < 1ê ñ > 88 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F11BEA27C0, 16 bytes long.
Data: <`1ê ñ > 60 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F11BEA21D0, 16 bytes long.
Data: <81ê ñ > 38 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F11BEA26D0, 16 bytes long.
Data: < 1ê ñ > 10 31 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F11BEA2FE0, 16 bytes long.
Data: <0æé ñ > 30 E6 E9 1B F1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F11BE9E630, 40 bytes long.
Data: <à/ê ñ @´¥ ñ > E0 2F EA 1B F1 01 00 00 40 B4 A5 1D F1 01 00 00
{255} normal block at 0x000001F11BEA2F40, 16 bytes long.
Data: <ð0ê ñ > F0 30 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F11BEA2B30, 16 bytes long.
Data: <È0ê ñ > C8 30 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F11BE9E300, 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 0x000001F11BEA2540, 16 bytes long.
Data: < 0ê ñ > A0 30 EA 1B F1 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001F11BEA30A0, 992 bytes long.
Data: <@%ê ñ ãé ñ > 40 25 EA 1B F1 01 00 00 00 E3 E9 1B F1 01 00 00
{87} normal block at 0x000001F11BE9D9A0, 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 0x000001F11BE97000, 16 bytes long.
Data: < ëé ñ > 00 EB E9 1B F1 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001F11BE9EB00, 40 bytes long.
Data: < pé ñ  Ùé ñ > 00 70 E9 1B F1 01 00 00 A0 D9 E9 1B F1 01 00 00
{64} normal block at 0x000001F11BE97190, 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 0x000001F11BE96B50, 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 0x000001F11BE96A60, 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 0x000001F11BE96B00, 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 0x000001F11BE96380, 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 0x000001F11BE96F60, 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 0x000001F11BE96650, 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 0x000001F11BE96880, 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 0x000001F11BE96830, 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 0x000001F11BE96BA0, 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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