Task 38606911
| Name | hif2a_A20_A19_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND2698_1 |
| Workunit | 31560392 |
| Created | 14 Apr 2026, 8:19:35 UTC |
| Sent | 14 Apr 2026, 8:21:57 UTC |
| Report deadline | 19 Apr 2026, 8:21:57 UTC |
| Received | 14 Apr 2026, 8:33:45 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651976 |
| Run time | 1 min 12 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,494.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 263.48 MB |
| Peak swap size | 12.10 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:22:54 (39552): wrapper (7.9.26016): starting
10:22:54 (39552): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A19_0.pdb
QB_A20_A19_0.xml
QB_A20_A19.inpcrd
QB_A20_A19_input.yaml
QB_A20_A19.pdb
QB_A20_A19.prmtop
QB_A20_A19_sys.xml
run.bat
run.sh
10:22:55 (39552): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:22:55 (39552): 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:\Boinc\004\slots\17\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:\Boinc\004\slots\17\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:\Boinc\004\slots\17\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\17\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\17\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:\Boinc\004\slots\17\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\17\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\17\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:\Boinc\004\slots\17\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\17\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 32
10:23:13 (39552): C:/Windows/system32/cmd.exe exited; CPU time 2.187500
10:23:13 (39552): app exit status: 0x16
10:23:13 (39552): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 1040722 bytes.
Dumping objects ->
{3837284} normal block at 0x000001B261F54920, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837273} normal block at 0x000001B263DF52F0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837262} normal block at 0x000001B263DF5F50, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3837251} normal block at 0x000001B263DF5290, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837240} normal block at 0x000001B263DF6430, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3837209} normal block at 0x000001B261F54AE0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837198} normal block at 0x000001B261FBA050, 140 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) : {3837194} normal block at 0x000001B261F4CEF0, 8 bytes long.
Data: < Qb² > 00 00 51 62 B2 01 00 00
{3835676} normal block at 0x000001B261FB99D0, 140 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 0x000001B261F4CFE0, 8 bytes long.
Data: < ×óa² > A0 D7 F3 61 B2 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001B261F40A30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B261F41F30, 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 0x000001B261F558E0, 16 bytes long.
Data: <Èfõa² > C8 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B261F556B0, 16 bytes long.
Data: < fõa² > A0 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B261F51210, 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 0x000001B261F55610, 16 bytes long.
Data: <xfõa² > 78 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B261F562E0, 16 bytes long.
Data: <Pfõa² > 50 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B261F55750, 16 bytes long.
Data: <(fõa² > 28 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B261F55D40, 16 bytes long.
Data: < fõa² > 00 66 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B261F54C30, 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 0x000001B261F554D0, 16 bytes long.
Data: <¸îóa² > B8 EE F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B261F514B0, 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 0x000001B261F56150, 16 bytes long.
Data: < îóa² > 90 EE F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B261F55FC0, 16 bytes long.
Data: <hîóa² > 68 EE F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B261F55B60, 16 bytes long.
Data: <@îóa² > 40 EE F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B261F55660, 16 bytes long.
Data: < îóa² > 18 EE F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B261F56290, 16 bytes long.
Data: <ðíóa² > F0 ED F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B261F55ED0, 16 bytes long.
Data: <Èíóa² > C8 ED F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B261F50A90, 32 bytes long.
Data: <CUDA_DEVICE=32 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 32 00 55
{281} normal block at 0x000001B261F553E0, 16 bytes long.
Data: < íóa² > A0 ED F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B261F3EDA0, 320 bytes long.
Data: <àSõa² õa² > E0 53 F5 61 B2 01 00 00 90 0A F5 61 B2 01 00 00
{279} normal block at 0x000001B261F56240, 16 bytes long.
Data: <àeõa² > E0 65 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B261F560B0, 16 bytes long.
Data: <¸eõa² > B8 65 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B261F512D0, 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 0x000001B261F55E80, 16 bytes long.
Data: < eõa² > 90 65 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B261F513F0, 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 0x000001B261F56100, 16 bytes long.
Data: <Ødõa² > D8 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B261F55430, 16 bytes long.
Data: <°dõa² > B0 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B261F561F0, 16 bytes long.
Data: < dõa² > 88 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B261F555C0, 16 bytes long.
Data: <`dõa² > 60 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B261F56010, 16 bytes long.
Data: <8dõa² > 38 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B261F55CA0, 16 bytes long.
Data: < dõa² > 10 64 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B261F557F0, 16 bytes long.
Data: < Lõa² > A0 4C F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B261F54CA0, 40 bytes long.
Data: <ðWõa² àJõa² > F0 57 F5 61 B2 01 00 00 E0 4A F5 61 B2 01 00 00
{265} normal block at 0x000001B261F55890, 16 bytes long.
Data: <ðcõa² > F0 63 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B261F55480, 16 bytes long.
Data: <Ècõa² > C8 63 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B261F50CD0, 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 0x000001B261F55E30, 16 bytes long.
Data: < cõa² > A0 63 F5 61 B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B261F563A0, 992 bytes long.
Data: <0^õa² Ð õa² > 30 5E F5 61 B2 01 00 00 D0 0C F5 61 B2 01 00 00
{97} normal block at 0x000001B261F516F0, 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 0x000001B261F4D170, 16 bytes long.
Data: <@Áóa² > 40 C1 F3 61 B2 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001B261F3C140, 40 bytes long.
Data: <pÑôa² ð õa² > 70 D1 F4 61 B2 01 00 00 F0 16 F5 61 B2 01 00 00
{74} normal block at 0x000001B261F4D8F0, 16 bytes long.
Data: < ê ”ö > 80 EA 0B 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B261F4D940, 16 bytes long.
Data: <@é ”ö > 40 E9 0B 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B261F4D800, 16 bytes long.
Data: <øW ”ö > F8 57 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B261F4DBC0, 16 bytes long.
Data: <ØW ”ö > D8 57 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B261F4D710, 16 bytes long.
Data: <P ”ö > 50 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B261F4DCB0, 16 bytes long.
Data: <0 ”ö > 30 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B261F4DE40, 16 bytes long.
Data: <à ”ö > E0 02 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B261F4DC60, 16 bytes long.
Data: < ”ö > 10 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B261F4D3A0, 16 bytes long.
Data: <p ”ö > 70 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B261F4D7B0, 16 bytes long.
Data: < À ”ö > 18 C0 06 94 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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