Task 38624159
| Name | hif2a_2_A09_A10_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND4698_1 |
| Workunit | 31566894 |
| Created | 22 Apr 2026, 13:40:33 UTC |
| Sent | 22 Apr 2026, 13:40:34 UTC |
| Report deadline | 27 Apr 2026, 13:40:34 UTC |
| Received | 22 Apr 2026, 14:12:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 617538 |
| Run time | 1 min 30 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 48,743.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.39 MB |
| Peak swap size | 5.71 MB |
| Peak disk usage | 2.63 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:42:12 (13880): wrapper (7.9.26016): starting
06:42:12 (13880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
06:42:15 (13880): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:42:15 (13880): 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 229, in _openmm_worker_makecontext
self.platform = Platform.getPlatformByName(self.platform_name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
07:09:51 (13880): C:/Windows/system32/cmd.exe exited; CPU time 27.687500
07:09:51 (13880): app exit status: 0x16
07:09:51 (13880): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 22349797 bytes.
Dumping objects ->
{3835510} normal block at 0x000001D0006FBA40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x000001D0006D6520, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835488} normal block at 0x000001D0006D64B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835477} normal block at 0x000001D0006D62F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000001D0006D6280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835435} normal block at 0x000001D00242B5A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x000001D00072F590, 141 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) : {3835421} normal block at 0x000001D0006CF2D0, 8 bytes long.
Data: < c Ð > 00 00 63 00 D0 01 00 00
{3834666} normal block at 0x000001D00072F180, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001D0006CEBA0, 8 bytes long.
Data: <àïC Ð > E0 EF 43 02 D0 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D0006C2F60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D0006BC140, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001D0006D70B0, 16 bytes long.
Data: < }m Ð > 08 7D 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D0006D6E80, 16 bytes long.
Data: <à|m Ð > E0 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D0006D2630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001D0006D7970, 16 bytes long.
Data: <¸|m Ð > B8 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D0006D6C00, 16 bytes long.
Data: < |m Ð > 90 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D0006D7920, 16 bytes long.
Data: <h|m Ð > 68 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D0006D6BB0, 16 bytes long.
Data: <@|m Ð > 40 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D0006D6590, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001D0006D7470, 16 bytes long.
Data: <ø l Ð > F8 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D0006D2DB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001D0006D7150, 16 bytes long.
Data: <Ð l Ð > D0 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D0006D73D0, 16 bytes long.
Data: <¨ l Ð > A8 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D0006D7880, 16 bytes long.
Data: < l Ð > 80 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D0006D6B60, 16 bytes long.
Data: <X l Ð > 58 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D0006D6A70, 16 bytes long.
Data: <0 l Ð > 30 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D0006D7830, 16 bytes long.
Data: < l Ð > 08 1A 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D0006D2AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001D0006D6FC0, 16 bytes long.
Data: <à l Ð > E0 19 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D0006C19E0, 320 bytes long.
Data: <Àom Ð °*m Ð > C0 6F 6D 00 D0 01 00 00 B0 2A 6D 00 D0 01 00 00
{276} normal block at 0x000001D0006D6DE0, 16 bytes long.
Data: < |m Ð > 20 7C 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D0006D77E0, 16 bytes long.
Data: <ø{m Ð > F8 7B 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D0006D2810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001D0006D7790, 16 bytes long.
Data: <Ð{m Ð > D0 7B 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D0006D2E70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001D0006D7330, 16 bytes long.
Data: < {m Ð > 18 7B 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D0006D7650, 16 bytes long.
Data: <ðzm Ð > F0 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D0006D78D0, 16 bytes long.
Data: <Èzm Ð > C8 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D0006D7600, 16 bytes long.
Data: < zm Ð > A0 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D0006D7240, 16 bytes long.
Data: <xzm Ð > 78 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D0006D6AC0, 16 bytes long.
Data: <Pzm Ð > 50 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D0006D7060, 16 bytes long.
Data: <@dm Ð > 40 64 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D0006D6440, 40 bytes long.
Data: <`pm Ð  µB Ð > 60 70 6D 00 D0 01 00 00 A0 B5 42 02 D0 01 00 00
{262} normal block at 0x000001D0006D7560, 16 bytes long.
Data: <0zm Ð > 30 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D0006D6B10, 16 bytes long.
Data: < zm Ð > 08 7A 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D0006D2CF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001D0006D7740, 16 bytes long.
Data: <àym Ð > E0 79 6D 00 D0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D0006D79E0, 992 bytes long.
Data: <@wm Ð ð,m Ð > 40 77 6D 00 D0 01 00 00 F0 2C 6D 00 D0 01 00 00
{94} normal block at 0x000001D0006D29F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001D0006CE7E0, 16 bytes long.
Data: <° l Ð > B0 0E 6C 00 D0 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001D0006C0EB0, 40 bytes long.
Data: <àçl Ð ð)m Ð > E0 E7 6C 00 D0 01 00 00 F0 29 6D 00 D0 01 00 00
{71} normal block at 0x000001D0006CF5F0, 16 bytes long.
Data: < ê—Eö > 80 EA 97 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D0006CEC40, 16 bytes long.
Data: <@é—Eö > 40 E9 97 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D0006CE830, 16 bytes long.
Data: <øW”Eö > F8 57 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D0006CF550, 16 bytes long.
Data: <ØW”Eö > D8 57 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D0006CEB50, 16 bytes long.
Data: <P ”Eö > 50 04 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D0006CE790, 16 bytes long.
Data: <0 ”Eö > 30 04 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D0006CECE0, 16 bytes long.
Data: <à ”Eö > E0 02 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D0006CED80, 16 bytes long.
Data: < ”Eö > 10 04 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D0006CE880, 16 bytes long.
Data: <p ”Eö > 70 04 94 45 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D0006CF500, 16 bytes long.
Data: < À’Eö > 18 C0 92 45 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra