Task 38616560
| Name | p38_2_A04_A15_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-1-6-RND3927_0 |
| Workunit | 31568400 |
| Created | 17 Apr 2026, 21:22:40 UTC |
| Sent | 17 Apr 2026, 21:23:00 UTC |
| Report deadline | 22 Apr 2026, 21:23:00 UTC |
| Received | 17 Apr 2026, 23:25:52 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 645990 |
| Run time | 3 min 48 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,075.01 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 612.25 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.11</core_client_version>
<![CDATA[
<message>
Incorrect function.
(0x1) - exit code 1 (0x1)</message>
<stderr_txt>
15:20:21 (18740): wrapper (7.9.26016): starting
15:20:21 (18740): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
15:20:23 (18740): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:20:23 (18740): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835163} normal block at 0x000001E3613C5630, 8 bytes long.
Data: < b > 00 00 DC 62 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000001E362F745E0, 1080 bytes long.
Data: < . L > B4 2E 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E3613CF920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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