Task 38615959
| Name | HIF2A_2_A09_A10_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND3393_1 |
| Workunit | 31567329 |
| Created | 17 Apr 2026, 17:56:18 UTC |
| Sent | 17 Apr 2026, 17:59:55 UTC |
| Report deadline | 22 Apr 2026, 17:59:55 UTC |
| Received | 17 Apr 2026, 18:12:11 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652086 |
| Run time | 2 min 32 sec |
| CPU time | 34 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,856.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 212.60 MB |
| Peak swap size | 4.54 GB |
| Peak disk usage | 1.46 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
20:09:13 (8452): wrapper (7.9.26016): starting
20:09:13 (8452): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
20:09:14 (8452): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:09:14 (8452): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\13\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\13\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\13\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
20:10:10 (8452): C:/Windows/system32/cmd.exe exited; CPU time 34.000000
20:10:10 (8452): app exit status: 0x16
20:10:10 (8452): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 540803 bytes.
Dumping objects ->
{3835261} normal block at 0x000001FF35855090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001FF35855250, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001FF358559C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835228} normal block at 0x000001FF35855640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835217} normal block at 0x000001FF35855720, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835186} normal block at 0x000001FF3734BB40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835173} normal block at 0x000001FF35825CC0, 8 bytes long.
Data: < 7 > 00 00 12 37 FF 01 00 00
{3833947} normal block at 0x000001FF35825AE0, 8 bytes long.
Data: < 5 > 90 16 83 35 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FF35830AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FF35815BE0, 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 0x000001FF358323E0, 16 bytes long.
Data: <X. 5 > 58 2E 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FF35832390, 16 bytes long.
Data: <0. 5 > 30 2E 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FF3582CE80, 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 0x000001FF35832340, 16 bytes long.
Data: < . 5 > 08 2E 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FF35832AC0, 16 bytes long.
Data: <à- 5 > E0 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FF35832890, 16 bytes long.
Data: <¸- 5 > B8 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FF35832200, 16 bytes long.
Data: < - 5 > 90 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FF3582D500, 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 0x000001FF35831D50, 16 bytes long.
Data: <x[ 5 > 78 5B 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FF3582CD00, 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 0x000001FF35831CB0, 16 bytes long.
Data: <P[ 5 > 50 5B 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FF358328E0, 16 bytes long.
Data: <([ 5 > 28 5B 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FF35832840, 16 bytes long.
Data: < [ 5 > 00 5B 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FF35832A70, 16 bytes long.
Data: <ØZ 5 > D8 5A 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FF35832110, 16 bytes long.
Data: <°Z 5 > B0 5A 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FF35831B70, 16 bytes long.
Data: < Z 5 > 88 5A 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FF3582C5E0, 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 0x000001FF35832520, 16 bytes long.
Data: <`Z 5 > 60 5A 81 35 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FF35815A60, 320 bytes long.
Data: < % 5 àÅ‚5 > 20 25 83 35 FF 01 00 00 E0 C5 82 35 FF 01 00 00
{269} normal block at 0x000001FF358320C0, 16 bytes long.
Data: <p- 5 > 70 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FF35831E90, 16 bytes long.
Data: <H- 5 > 48 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FF3582CB80, 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 0x000001FF358322F0, 16 bytes long.
Data: < - 5 > 20 2D 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FF3582C640, 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 0x000001FF358324D0, 16 bytes long.
Data: <h, 5 > 68 2C 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FF35832160, 16 bytes long.
Data: <@, 5 > 40 2C 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FF35832070, 16 bytes long.
Data: < , 5 > 18 2C 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FF358321B0, 16 bytes long.
Data: <ð+ 5 > F0 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FF358327F0, 16 bytes long.
Data: <È+ 5 > C8 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FF35832A20, 16 bytes long.
Data: < + 5 > A0 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FF35831EE0, 16 bytes long.
Data: <ÀÖ‚5 > C0 D6 82 35 FF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FF3582D6C0, 40 bytes long.
Data: <à 5 @»47 > E0 1E 83 35 FF 01 00 00 40 BB 34 37 FF 01 00 00
{255} normal block at 0x000001FF35832480, 16 bytes long.
Data: < + 5 > 80 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FF35832930, 16 bytes long.
Data: <X+ 5 > 58 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FF3582D060, 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 0x000001FF35831DF0, 16 bytes long.
Data: <0+ 5 > 30 2B 83 35 FF 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001FF35832B30, 992 bytes long.
Data: <ð 5 `Ђ5 > F0 1D 83 35 FF 01 00 00 60 D0 82 35 FF 01 00 00
{87} normal block at 0x000001FF3582CB20, 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 0x000001FF35825E00, 16 bytes long.
Data: <PÖ‚5 > 50 D6 82 35 FF 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001FF3582D650, 40 bytes long.
Data: < ^‚5 Ë‚5 > 00 5E 82 35 FF 01 00 00 20 CB 82 35 FF 01 00 00
{64} normal block at 0x000001FF35825C70, 16 bytes long.
Data: < êS ö > 80 EA 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FF35825C20, 16 bytes long.
Data: <@éS ö > 40 E9 53 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FF35825400, 16 bytes long.
Data: <øWP ö > F8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FF35825630, 16 bytes long.
Data: <ØWP ö > D8 57 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FF35825A90, 16 bytes long.
Data: <P P ö > 50 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FF35825A40, 16 bytes long.
Data: <0 P ö > 30 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FF358254A0, 16 bytes long.
Data: <à P ö > E0 02 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FF35825BD0, 16 bytes long.
Data: < P ö > 10 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001FF35825860, 16 bytes long.
Data: <p P ö > 70 04 50 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001FF358256D0, 16 bytes long.
Data: < ÀN ö > 18 C0 4E 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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