Task 38583304
| Name | HIF2A_A13_A11_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND9460_0 |
| Workunit | 31547456 |
| Created | 14 Dec 2025, 0:58:38 UTC |
| Sent | 14 Dec 2025, 0:58:40 UTC |
| Report deadline | 19 Dec 2025, 0:58:40 UTC |
| Received | 14 Dec 2025, 14:05:49 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 641223 |
| Run time | 1 min 55 sec |
| CPU time | 15 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 40,557.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 323.23 MB |
| Peak swap size | 6.33 GB |
| Peak disk usage | 1.54 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:01:43 (26328): wrapper (7.9.26016): starting
06:01:43 (26328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A11_0.pdb
QB_A13_A11_0.xml
QB_A13_A11_equil.pdb
QB_A13_A11.inpcrd
QB_A13_A11_input.yaml
QB_A13_A11_mdlambda.pdb
QB_A13_A11_min.pdb
QB_A13_A11_npt.pdb
QB_A13_A11.pdb
QB_A13_A11.prmtop
QB_A13_A11_sys.xml
QB_A13_A11_therm.pdb
run.bat
run.sh
06:01:44 (26328): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:01:44 (26328): 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.
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: The requested CUDA device could not be loaded
06:03:55 (26328): C:/Windows/system32/cmd.exe exited; CPU time 15.609375
06:03:55 (26328): app exit status: 0x16
06:03:55 (26328): 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: 3144847 bytes.
Dumping objects ->
{3836226} normal block at 0x000001F2159DE430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836215} normal block at 0x000001F2159DE4A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836204} normal block at 0x000001F2159DEB30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836193} normal block at 0x000001F213D862C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836182} normal block at 0x000001F213D86170, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836151} normal block at 0x000001F215A25A10, 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) : {3836138} normal block at 0x000001F213D7EDB0, 8 bytes long.
Data: < ò > 00 00 18 14 F2 01 00 00
{3833967} normal block at 0x000001F213D7E220, 8 bytes long.
Data: <ÀãÖ ò > C0 E3 D6 13 F2 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F213D71CC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F213D72A60, 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 0x000001F213D86DF0, 16 bytes long.
Data: <x|Ø ò > 78 7C D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F213D86DA0, 16 bytes long.
Data: <P|Ø ò > 50 7C D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F213D812A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001F213D87390, 16 bytes long.
Data: <(|Ø ò > 28 7C D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F213D86BC0, 16 bytes long.
Data: < |Ø ò > 00 7C D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F213D86D00, 16 bytes long.
Data: <Ø{Ø ò > D8 7B D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F213D86B70, 16 bytes long.
Data: <°{Ø ò > B0 7B D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F213D861E0, 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 0x000001F213D87840, 16 bytes long.
Data: < × ò > 08 14 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F213D80A00, 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 0x000001F213D87110, 16 bytes long.
Data: <à × ò > E0 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F213D86B20, 16 bytes long.
Data: <¸ × ò > B8 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F213D87200, 16 bytes long.
Data: < × ò > 90 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F213D86D50, 16 bytes long.
Data: <h × ò > 68 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F213D86990, 16 bytes long.
Data: <@ × ò > 40 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F213D87610, 16 bytes long.
Data: < × ò > 18 13 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F213D81240, 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 0x000001F213D87570, 16 bytes long.
Data: <ð × ò > F0 12 D7 13 F2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F213D712F0, 320 bytes long.
Data: <puØ ò @ Ø ò > 70 75 D8 13 F2 01 00 00 40 12 D8 13 F2 01 00 00
{279} normal block at 0x000001F213D878E0, 16 bytes long.
Data: < {Ø ò > 90 7B D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F213D86C10, 16 bytes long.
Data: <h{Ø ò > 68 7B D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F213D81000, 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 0x000001F213D877F0, 16 bytes long.
Data: <@{Ø ò > 40 7B D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F213D80EE0, 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 0x000001F213D86CB0, 16 bytes long.
Data: < zØ ò > 88 7A D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F213D86F30, 16 bytes long.
Data: <`zØ ò > 60 7A D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F213D87020, 16 bytes long.
Data: <8zØ ò > 38 7A D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F213D87890, 16 bytes long.
Data: < zØ ò > 10 7A D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F213D87700, 16 bytes long.
Data: <èyØ ò > E8 79 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F213D877A0, 16 bytes long.
Data: <ÀyØ ò > C0 79 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F213D872A0, 16 bytes long.
Data: < cØ ò > A0 63 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F213D863A0, 40 bytes long.
Data: < rØ ò Z¢ ò > A0 72 D8 13 F2 01 00 00 10 5A A2 15 F2 01 00 00
{265} normal block at 0x000001F213D87430, 16 bytes long.
Data: < yØ ò > A0 79 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F213D86A30, 16 bytes long.
Data: <xyØ ò > 78 79 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F213D81660, 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 0x000001F213D87750, 16 bytes long.
Data: <PyØ ò > 50 79 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F213D87950, 992 bytes long.
Data: <PwØ ò ` Ø ò > 50 77 D8 13 F2 01 00 00 60 16 D8 13 F2 01 00 00
{97} normal block at 0x000001F213D80B80, 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 0x000001F213D7EC20, 16 bytes long.
Data: <0cØ ò > 30 63 D8 13 F2 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001F213D86330, 40 bytes long.
Data: < ì× ò Ø ò > 20 EC D7 13 F2 01 00 00 80 0B D8 13 F2 01 00 00
{74} normal block at 0x000001F213D7E630, 16 bytes long.
Data: < êW ÷ > 80 EA 57 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F213D7E4F0, 16 bytes long.
Data: <@éW ÷ > 40 E9 57 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F213D7EC70, 16 bytes long.
Data: <øWT ÷ > F8 57 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F213D7EB30, 16 bytes long.
Data: <ØWT ÷ > D8 57 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F213D7E860, 16 bytes long.
Data: <P T ÷ > 50 04 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F213D7E4A0, 16 bytes long.
Data: <0 T ÷ > 30 04 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F213D7EE00, 16 bytes long.
Data: <à T ÷ > E0 02 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F213D7E130, 16 bytes long.
Data: < T ÷ > 10 04 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F213D7E9A0, 16 bytes long.
Data: <p T ÷ > 70 04 54 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F213D7E400, 16 bytes long.
Data: < ÀR ÷ > 18 C0 52 04 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra