Task 38605116
| Name | tnks2_A09_A03_r0_5-QUICO_ATM_GAFF2_NAGL_TNKS2-0-6-RND7324_0 |
| Workunit | 31559089 |
| Created | 13 Apr 2026, 11:59:53 UTC |
| Sent | 13 Apr 2026, 11:59:57 UTC |
| Report deadline | 18 Apr 2026, 11:59:57 UTC |
| Received | 13 Apr 2026, 22:22:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 2 min 8 sec |
| CPU time | 23 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 295.27 MB |
| Peak swap size | 12.14 GB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:20:33 (25736): wrapper (7.9.26016): starting
17:20:33 (25736): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A03_0.pdb
QB_A09_A03_0.xml
QB_A09_A03.inpcrd
QB_A09_A03_input.yaml
QB_A09_A03.pdb
QB_A09_A03.prmtop
QB_A09_A03_sys.xml
run.bat
run.sh
17:20:34 (25736): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:34 (25736): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\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\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)
17:21:24 (25736): C:/Windows/system32/cmd.exe exited; CPU time 23.125000
17:21:24 (25736): app exit status: 0x16
17:21:24 (25736): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 1007743 bytes.
Dumping objects ->
{3835241} normal block at 0x00000235867F84D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x00000235867F7C10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000235867F7E40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x00000235867F7D60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x00000235867F8460, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x00000235867C8190, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x00000235867818C0, 102 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) : {3835152} normal block at 0x000002358496F6B0, 8 bytes long.
Data: < ;†5 > 00 00 3B 86 35 02 00 00
{3834554} normal block at 0x0000023586780DC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000002358496F8E0, 8 bytes long.
Data: <@åP†5 > 40 E5 50 86 35 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023584977290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000235848F3060, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000023584975750, 16 bytes long.
Data: <¸K—„5 > B8 4B 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000235849756B0, 16 bytes long.
Data: < K—„5 > 90 4B 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002358496EC20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000023584975840, 16 bytes long.
Data: <hK—„5 > 68 4B 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000235849757F0, 16 bytes long.
Data: <@K—„5 > 40 4B 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023584975610, 16 bytes long.
Data: < K—„5 > 18 4B 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023584975660, 16 bytes long.
Data: <ðJ—„5 > F0 4A 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023584973170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000235849753E0, 16 bytes long.
Data: <H½–„5 > 48 BD 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002358496E200, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000235849755C0, 16 bytes long.
Data: < ½–„5 > 20 BD 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023584974D00, 16 bytes long.
Data: <ø¼–„5 > F8 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000235849750C0, 16 bytes long.
Data: <м–„5 > D0 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023584974DF0, 16 bytes long.
Data: <¨¼–„5 > A8 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023584974EE0, 16 bytes long.
Data: < ¼–„5 > 80 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023584974F30, 16 bytes long.
Data: <X¼–„5 > 58 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002358496E0E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000023584975570, 16 bytes long.
Data: <0¼–„5 > 30 BC 96 84 35 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002358496BC30, 320 bytes long.
Data: <pU—„5 àà–„5 > 70 55 97 84 35 02 00 00 E0 E0 96 84 35 02 00 00
{280} normal block at 0x0000023584974E40, 16 bytes long.
Data: <ÐJ—„5 > D0 4A 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023584975160, 16 bytes long.
Data: <¨J—„5 > A8 4A 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002358496EBC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000023584975390, 16 bytes long.
Data: < J—„5 > 80 4A 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002358496DFC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000023584975980, 16 bytes long.
Data: <ÈI—„5 > C8 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000235849757A0, 16 bytes long.
Data: < I—„5 > A0 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023584975700, 16 bytes long.
Data: <xI—„5 > 78 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002358496F840, 16 bytes long.
Data: <PI—„5 > 50 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002358496F7F0, 16 bytes long.
Data: <(I—„5 > 28 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002358496F7A0, 16 bytes long.
Data: < I—„5 > 00 49 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002358496F610, 16 bytes long.
Data: < 4—„5 > 10 34 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023584973410, 40 bytes long.
Data: < ö–„5 |†5 > 10 F6 96 84 35 02 00 00 90 81 7C 86 35 02 00 00
{266} normal block at 0x000002358496F3E0, 16 bytes long.
Data: <àH—„5 > E0 48 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002358496F390, 16 bytes long.
Data: <¸H—„5 > B8 48 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002358496E500, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000002358496F4D0, 16 bytes long.
Data: < H—„5 > 90 48 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023584974890, 992 bytes long.
Data: <Ðô–„5 å–„5 > D0 F4 96 84 35 02 00 00 00 E5 96 84 35 02 00 00
{98} normal block at 0x000002358496E440, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002358496FB10, 16 bytes long.
Data: < 3—„5 > A0 33 97 84 35 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000235849733A0, 40 bytes long.
Data: < û–„5 @ä–„5 > 10 FB 96 84 35 02 00 00 40 E4 96 84 35 02 00 00
{75} normal block at 0x000002358496F2F0, 16 bytes long.
Data: < ê†_÷ > 80 EA 86 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002358496F980, 16 bytes long.
Data: <@é†_÷ > 40 E9 86 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002358496FD90, 16 bytes long.
Data: <øWƒ_÷ > F8 57 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002358496FBB0, 16 bytes long.
Data: <ØWƒ_÷ > D8 57 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002358496FD40, 16 bytes long.
Data: <P ƒ_÷ > 50 04 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023584970010, 16 bytes long.
Data: <0 ƒ_÷ > 30 04 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002358496FF70, 16 bytes long.
Data: <à ƒ_÷ > E0 02 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002358496F480, 16 bytes long.
Data: < ƒ_÷ > 10 04 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002358496F9D0, 16 bytes long.
Data: <p ƒ_÷ > 70 04 83 5F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002358496F430, 16 bytes long.
Data: < À _÷ > 18 C0 81 5F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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