Task 38613442
| Name | BACE_A32_A11_r0_4-QUICO_ATM_GAFF2_NAGL_BACE-5-6-RND7019_0 |
| Workunit | 31565921 |
| Created | 16 Apr 2026, 20:07:41 UTC |
| Sent | 16 Apr 2026, 20:07:45 UTC |
| Report deadline | 21 Apr 2026, 20:07:45 UTC |
| Received | 16 Apr 2026, 20:24:39 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 565480 |
| Run time | 4 min 52 sec |
| CPU time | 1 min 15 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 19,181.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 429.16 MB |
| Peak swap size | 1.76 GB |
| Peak disk usage | 2.98 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:21:06 (7528): wrapper (7.9.26016): starting
14:21:06 (7528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A11_0.pdb
QB_A32_A11_0.xml
QB_A32_A11.inpcrd
QB_A32_A11_input.yaml
QB_A32_A11.pdb
QB_A32_A11.prmtop
QB_A32_A11_sys.xml
run.bat
run.sh
14:21:10 (7528): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:21:10 (7528): 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\3\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\3\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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\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\3\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\3\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\3\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\3\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 1
14:23:24 (7528): C:/Windows/system32/cmd.exe exited; CPU time 75.890625
14:23:24 (7528): app exit status: 0x16
14:23:24 (7528): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 1058463 bytes.
Dumping objects ->
{3835251} normal block at 0x000001DF4158A9F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001DF4158AC90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001DF4158A4B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x000001DF4158B010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000001DF4158A280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x000001DF4159B8C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x000001DF3FAA2830, 235 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) : {3835162} normal block at 0x000001DF3FA96A60, 8 bytes long.
Data: < ¤?ß > 00 00 A4 3F DF 01 00 00
{3834555} normal block at 0x000001DF3FAA1D80, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001DF3FA96650, 8 bytes long.
Data: < éAAß > 80 E9 41 41 DF 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001DF3FA9FBC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DF3FA85C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001DF3FAA0D40, 16 bytes long.
Data: < 2ª?ß > 08 32 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DF3FAA14C0, 16 bytes long.
Data: <à1ª?ß > E0 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DF3FA9C4B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001DF3FAA1010, 16 bytes long.
Data: <¸1ª?ß > B8 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DF3FAA13D0, 16 bytes long.
Data: < 1ª?ß > 90 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DF3FAA1330, 16 bytes long.
Data: <h1ª?ß > 68 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DF3FAA1240, 16 bytes long.
Data: <@1ª?ß > 40 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DF3FA9B0F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001DF3FAA1740, 16 bytes long.
Data: <È[¨?ß > C8 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DF3FA9C090, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001DF3FAA0CF0, 16 bytes long.
Data: < [¨?ß > A0 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DF3FAA0CA0, 16 bytes long.
Data: <x[¨?ß > 78 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DF3FAA0E80, 16 bytes long.
Data: <P[¨?ß > 50 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DF3FAA1100, 16 bytes long.
Data: <([¨?ß > 28 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DF3FAA0C00, 16 bytes long.
Data: < [¨?ß > 00 5B A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DF3FAA1A60, 16 bytes long.
Data: <ØZ¨?ß > D8 5A A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DF3FA9C930, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x000001DF3FAA0C50, 16 bytes long.
Data: <°Z¨?ß > B0 5A A8 3F DF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DF3FA85AB0, 320 bytes long.
Data: <P ª?ß 0É©?ß > 50 0C AA 3F DF 01 00 00 30 C9 A9 3F DF 01 00 00
{268} normal block at 0x000001DF3FAA11F0, 16 bytes long.
Data: < 1ª?ß > 20 31 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DF3FAA0FC0, 16 bytes long.
Data: <ø0ª?ß > F8 30 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DF3FA9CE70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001DF3FAA0E30, 16 bytes long.
Data: <Ð0ª?ß > D0 30 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DF3FA9CDB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001DF3FAA1A10, 16 bytes long.
Data: < 0ª?ß > 18 30 AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DF3FAA1420, 16 bytes long.
Data: <ð/ª?ß > F0 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DF3FAA19C0, 16 bytes long.
Data: <È/ª?ß > C8 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DF3FAA1600, 16 bytes long.
Data: < /ª?ß > A0 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DF3FAA0BB0, 16 bytes long.
Data: <x/ª?ß > 78 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DF3FAA1970, 16 bytes long.
Data: <P/ª?ß > 50 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DF3FAA1920, 16 bytes long.
Data: < ¯©?ß > A0 AF A9 3F DF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DF3FA9AFA0, 40 bytes long.
Data: < ª?ß À¸YAß > 20 19 AA 3F DF 01 00 00 C0 B8 59 41 DF 01 00 00
{254} normal block at 0x000001DF3FAA0F70, 16 bytes long.
Data: <0/ª?ß > 30 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001DF3FAA18D0, 16 bytes long.
Data: < /ª?ß > 08 2F AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001DF3FA9CD50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001DF3FAA0F20, 16 bytes long.
Data: <à.ª?ß > E0 2E AA 3F DF 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001DF3FAA2EE0, 992 bytes long.
Data: < ª?ß PÍ©?ß > 20 0F AA 3F DF 01 00 00 50 CD A9 3F DF 01 00 00
{86} normal block at 0x000001DF3FA9CED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001DF3FA96790, 16 bytes long.
Data: <0¯©?ß > 30 AF A9 3F DF 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001DF3FA9AF30, 40 bytes long.
Data: < g©?ß ÐΩ?ß > 90 67 A9 3F DF 01 00 00 D0 CE A9 3F DF 01 00 00
{63} normal block at 0x000001DF3FA96880, 16 bytes long.
Data: < ê3Ç÷ > 80 EA 33 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DF3FA96EC0, 16 bytes long.
Data: <@é3Ç÷ > 40 E9 33 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DF3FA96AB0, 16 bytes long.
Data: <øW0Ç÷ > F8 57 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DF3FA96240, 16 bytes long.
Data: <ØW0Ç÷ > D8 57 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DF3FA96C40, 16 bytes long.
Data: <P 0Ç÷ > 50 04 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DF3FA964C0, 16 bytes long.
Data: <0 0Ç÷ > 30 04 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DF3FA96510, 16 bytes long.
Data: <à 0Ç÷ > E0 02 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001DF3FA95F70, 16 bytes long.
Data: < 0Ç÷ > 10 04 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001DF3FA96740, 16 bytes long.
Data: <p 0Ç÷ > 70 04 30 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001DF3FA96BF0, 16 bytes long.
Data: < À.Ç÷ > 18 C0 2E C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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