Task 38584027
| Name | JNK1_A28_A21_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND4514_4 |
| Workunit | 31547834 |
| Created | 15 Dec 2025, 18:39:35 UTC |
| Sent | 15 Dec 2025, 18:39:38 UTC |
| Report deadline | 20 Dec 2025, 18:39:38 UTC |
| Received | 15 Dec 2025, 18:49:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 2 min 56 sec |
| CPU time | 1 min 4 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,334.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 562.63 MB |
| Peak swap size | 9.47 GB |
| Peak disk usage | 3.12 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
18:45:52 (35272): wrapper (7.9.26016): starting
18:45:52 (35272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A21_0.pdb
QB_A28_A21_0.xml
QB_A28_A21_equil.pdb
QB_A28_A21.inpcrd
QB_A28_A21_input.yaml
QB_A28_A21_mdlambda.pdb
QB_A28_A21_min.pdb
QB_A28_A21_npt.pdb
QB_A28_A21_out_merged_nowater.pdb
QB_A28_A21.pdb
QB_A28_A21.prmtop
QB_A28_A21_sys.xml
QB_A28_A21_therm.pdb
run.bat
run.sh
18:45:54 (35272): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:45:54 (35272): 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 'D:\BOINC_DATA\slots\0\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 'D:\BOINC_DATA\slots\0\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.
ptxas fatal : Memory allocation failure
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\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 "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "D:\BOINC_DATA\slots\0\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 "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error loading CUDA module: CUDA_ERROR_INVALID_PTX (218)
18:47:28 (35272): C:/Windows/system32/cmd.exe exited; CPU time 64.796875
18:47:28 (35272): app exit status: 0x16
18:47:28 (35272): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 2124827 bytes.
Dumping objects ->
{3835327} normal block at 0x000002B00C1216B0, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835316} normal block at 0x000002B00C267270, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835305} normal block at 0x000002B00C2675D0, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835294} normal block at 0x000002B00C267330, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835283} normal block at 0x000002B00C267450, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835252} normal block at 0x000002B00C120E60, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835241} normal block at 0x000002B00A532A50, 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) : {3835238} normal block at 0x000002B00A458400, 8 bytes long.
Data: < õ ° > 00 00 F5 0B B0 02 00 00
{3834596} normal block at 0x000002B00A532870, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000002B00A4581D0, 8 bytes long.
Data: < ¬D ° > 10 AC 44 0A B0 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B00A462EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002B00A45E230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002B00A464880, 16 bytes long.
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{298} normal block at 0x000002B00A464600, 16 bytes long.
Data: <`QF ° > 60 51 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002B00A45D490, 32 bytes long.
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{296} normal block at 0x000002B00A4645B0, 16 bytes long.
Data: <8QF ° > 38 51 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B00A464560, 16 bytes long.
Data: < QF ° > 10 51 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B00A4646A0, 16 bytes long.
Data: <èPF ° > E8 50 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B00A464380, 16 bytes long.
Data: <ÀPF ° > C0 50 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002B00A45E920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002B00A464330, 16 bytes long.
Data: <ÈáE ° > C8 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B00A45C8F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002B00A464290, 16 bytes long.
Data: < áE ° > A0 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B00A4641F0, 16 bytes long.
Data: <xáE ° > 78 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B00A464BA0, 16 bytes long.
Data: <PáE ° > 50 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B00A464150, 16 bytes long.
Data: <(áE ° > 28 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B00A464470, 16 bytes long.
Data: < áE ° > 00 E1 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B00A4642E0, 16 bytes long.
Data: <ØàE ° > D8 E0 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002B00A45C7D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002B00A464240, 16 bytes long.
Data: <°àE ° > B0 E0 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B00A45E0B0, 320 bytes long.
Data: <@BF ° ÐÇE ° > 40 42 46 0A B0 02 00 00 D0 C7 45 0A B0 02 00 00
{279} normal block at 0x000002B00A464920, 16 bytes long.
Data: < PF ° > A0 50 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B00A464830, 16 bytes long.
Data: <xPF ° > 78 50 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B00A45D3D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002B00A4643D0, 16 bytes long.
Data: <PPF ° > 50 50 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B00A45C710, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002B00A4641A0, 16 bytes long.
Data: < OF ° > 98 4F 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B00A463DE0, 16 bytes long.
Data: <pOF ° > 70 4F 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B00A464100, 16 bytes long.
Data: <HOF ° > 48 4F 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B00A464790, 16 bytes long.
Data: < OF ° > 20 4F 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B00A4640B0, 16 bytes long.
Data: <øNF ° > F8 4E 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002B00A463D90, 16 bytes long.
Data: <ÐNF ° > D0 4E 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B00A464740, 16 bytes long.
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{266} normal block at 0x000002B00A45E370, 40 bytes long.
Data: <@GF ° ` ° > 40 47 46 0A B0 02 00 00 60 0E 12 0C B0 02 00 00
{265} normal block at 0x000002B00A464010, 16 bytes long.
Data: <°NF ° > B0 4E 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B00A4646F0, 16 bytes long.
Data: < NF ° > 88 4E 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B00A45CD10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002B00A463FC0, 16 bytes long.
Data: <`NF ° > 60 4E 46 0A B0 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002B00A464E60, 992 bytes long.
Data: <À?F ° ÍE ° > C0 3F 46 0A B0 02 00 00 10 CD 45 0A B0 02 00 00
{97} normal block at 0x000002B00A45D190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002B00A4582C0, 16 bytes long.
Data: <ÐçE ° > D0 E7 45 0A B0 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002B00A45E7D0, 40 bytes long.
Data: <À‚E ° ÑE ° > C0 82 45 0A B0 02 00 00 90 D1 45 0A B0 02 00 00
{74} normal block at 0x000002B00A458770, 16 bytes long.
Data: < ê„ýö > 80 EA 84 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002B00A458130, 16 bytes long.
Data: <@é„ýö > 40 E9 84 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002B00A458040, 16 bytes long.
Data: <øW ýö > F8 57 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002B00A457FF0, 16 bytes long.
Data: <ØW ýö > D8 57 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B00A457FA0, 16 bytes long.
Data: <P ýö > 50 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B00A457EB0, 16 bytes long.
Data: <0 ýö > 30 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B00A458720, 16 bytes long.
Data: <à ýö > E0 02 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B00A457B90, 16 bytes long.
Data: < ýö > 10 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B00A457E60, 16 bytes long.
Data: <p ýö > 70 04 81 FD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B00A4586D0, 16 bytes long.
Data: < À ýö > 18 C0 7F FD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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