Task 38654043

Name	test_305-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5899_0
Workunit	31597897
Created	24 Oct 2026, 6:35:45 UTC
Sent	24 Oct 2026, 6:41:50 UTC
Report deadline	29 Oct 2026, 6:41:50 UTC
Received	24 Oct 2026, 9:22:34 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	652159
Run time	10 min 25 sec
CPU time	2 min 16 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	53,456.43 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	416.57 MB
Peak swap size	6.25 GB
Peak disk usage	3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 11:55:50 (28900): wrapper (7.9.26016): starting 11:55:50 (28900): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A34_A12_0.pdb QB_A34_A12_0.xml QB_A34_A12_input.yaml QB_A34_A12.pdb QB_A34_A12.prmtop QB_A34_A12_sys.xml run.bat run.sh 11:55:55 (28900): Library/usr/bin/tar.exe exited; CPU time 0.015625 11:55:55 (28900): 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\24\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\24\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. 12:05:57 (9884): wrapper (7.9.26016): starting 12:05:57 (9884): 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\24\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {1892} normal block at 0x0000017EA40C5BE0, 8 bytes long. Data: < V ~ > 00 00 56 A4 7E 01 00 00 ..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000017EA40C6FC0, 1080 bytes long. Data: < ; H > 90 3B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 Object dump complete. 12:17:05 (18688): wrapper (7.9.26016): starting 12:17:05 (18688): 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\24\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {1892} normal block at 0x00000216B7FB2A70, 8 bytes long. Data: < > 00 00 F5 B7 16 02 00 00 ..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000216B7FB6B00, 1080 bytes long. Data: < B L > 84 42 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>