Task 38667279

Name	test_998-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1885_2
Workunit	31609186
Created	25 Oct 2026, 7:11:03 UTC
Sent	25 Oct 2026, 7:11:10 UTC
Report deadline	30 Oct 2026, 7:11:10 UTC
Received	25 Oct 2026, 11:36:08 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	635377
Run time	2 hours 56 min 51 sec
CPU time	2 hours 56 min 51 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	16,492.58 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	722.07 MB
Peak swap size	6.90 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
aborted by user</message>
<stderr_txt>
08:12:33 (20608): wrapper (7.9.26016): starting
08:12:33 (20608): 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
08:12:35 (20608): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:12:35 (20608): 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\10\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\10\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) : {3835549} normal block at 0x0000021BF86FDAF0, 8 bytes long.
 Data: <        > 00 00 C5 F8 1B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000021BF8706C30, 1080 bytes long.
 Data: <lT      @       > 6C 54 00 00 CD CD CD CD 40 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021BF87014F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:08:08 (25564): wrapper (7.9.26016): starting
10:08:08 (25564): 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\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1891} normal block at 0x0000025951FA8940, 8 bytes long.
 Data: <  DRY   > 00 00 44 52 59 02 00 00 
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000025951FA8F60, 1080 bytes long.
 Data: <0)      @       > 30 29 00 00 CD CD CD CD 40 01 00 00 00 00 00 00 
Object dump complete.
10:59:15 (23688): wrapper (7.9.26016): starting
10:59:15 (23688): 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\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1891} normal block at 0x0000025ABA158C30, 8 bytes long.
 Data: <  _ Z   > 00 00 5F BA 5A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000025ABA159200, 1080 bytes long.
 Data: <D;      T       > 44 3B 00 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>