Task 38672139

Name	test_52-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8299_0
Workunit	31614308
Created	25 Oct 2026, 22:33:44 UTC
Sent	25 Oct 2026, 22:33:53 UTC
Report deadline	30 Oct 2026, 22:33:53 UTC
Received	5 Nov 2026, 19:45:16 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	1 (0x00000001) Unknown error code
Computer ID	649996
Run time
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	12,741.16 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> Unzul�ssige Funktion. (0x1) - exit code 1 (0x1)</message> <stderr_txt> 23:43:07 (2856): wrapper (7.9.26016): starting 23:43:07 (2856): 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 23:43:08 (2856): Library/usr/bin/tar.exe exited; CPU time 0.000000 23:43:08 (2856): 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\57\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\57\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. 19:44:45 (3816): wrapper (7.9.26016): starting application Library/usr/bin/tar.exe missing Detected memory leaks! Dumping objects -> {1605} normal block at 0x000001E88F1D8200, 16 bytes long. Data: < 6_3 > B8 A0 36 5F 33 00 00 00 00 00 00 00 00 00 00 00 {1604} normal block at 0x000001E88F1D8840, 16 bytes long. Data: <x 6_3 > 78 A0 36 5F 33 00 00 00 00 00 00 00 00 00 00 00 {1603} normal block at 0x000001E88F1D8660, 16 bytes long. Data: <8 6_3 > 38 A0 36 5F 33 00 00 00 00 00 00 00 00 00 00 00 ..\api\boinc_api.cpp(309) : {1483} normal block at 0x000001E88F1D8610, 8 bytes long. Data: < > 00 00 D4 90 E8 01 00 00 ..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001E88F1D94A0, 1080 bytes long. Data: <d \ > 64 1B 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>