Task 38598653

Name	BACE_A23_A26_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND1064_1
Workunit	31553751
Created	8 Apr 2026, 10:55:56 UTC
Sent	8 Apr 2026, 10:56:04 UTC
Report deadline	13 Apr 2026, 10:56:04 UTC
Received	8 Apr 2026, 20:37:01 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	194 (0x000000C2) EXIT_ABORTED_BY_CLIENT
Computer ID	649126
Run time	40 min 14 sec
CPU time	39 min 44 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,776.19 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	590.88 MB
Peak swap size	5.31 GB
Peak disk usage	3.00 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> The operating system cannot run <sporadic_ac>. (0xc2) - exit code 194 (0xc2)</message> <stderr_txt> 13:21:20 (9148): wrapper (7.9.26016): starting 13:21:20 (9148): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A23_A26_0.pdb QB_A23_A26_0.xml QB_A23_A26.inpcrd QB_A23_A26_input.yaml QB_A23_A26.pdb QB_A23_A26.prmtop QB_A23_A26_sys.xml run.bat run.sh 13:21:21 (9148): Library/usr/bin/tar.exe exited; CPU time 0.000000 13:21:21 (9148): 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\1\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\1\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) : {3835187} normal block at 0x0000025E35E4D7C0, 8 bytes long. Data: < 5^ > 00 00 E0 35 5E 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000025E35E3D6F0, 1080 bytes long. Data: <(N > 28 4E 00 00 CD CD CD CD 94 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025E35E414E0, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. 15:54:58 (19812): wrapper (7.9.26016): starting 15:54:58 (19812): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. </stderr_txt> ]]>