Task 38681910
| Name | test_401-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8527_0 |
| Workunit | 31623552 |
| Created | 27 Oct 2026, 5:50:54 UTC |
| Sent | 27 Oct 2026, 5:50:58 UTC |
| Report deadline | 1 Nov 2026, 5:50:58 UTC |
| Received | 28 Oct 2026, 3:41:32 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 634205 |
| Run time | 30 min 16 sec |
| CPU time | 27 min 16 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 766.80 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
Incorrect function.
(0x1) - exit code 1 (0x1)</message>
<stderr_txt>
14:07:05 (40480): wrapper (7.9.26016): starting
14:07:05 (40480): 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
14:07:06 (40480): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:07:06 (40480): 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\23\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\23\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) : {3835433} normal block at 0x0000021191980DD0, 8 bytes long.
Data: < > 00 00 E5 91 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x00000211937A6AF0, 1080 bytes long.
Data: < < > E0 90 00 00 CD CD CD CD 3C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000021191976B20, 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>
]]>
©2026 Universitat Pompeu Fabra