Task 38654056

Name	test_345-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND2280_0
Workunit	31597908
Created	24 Oct 2026, 6:37:00 UTC
Sent	24 Oct 2026, 6:41:51 UTC
Report deadline	29 Oct 2026, 6:41:51 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	8 min 29 sec
CPU time	1 min 10 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	354.46 MB
Peak swap size	6.18 GB
Peak disk usage	3.32 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
aborted by user</message>
<stderr_txt>
12:00:06 (16908): wrapper (7.9.26016): starting
12:00:06 (16908): 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
12:00:12 (16908): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:00:12 (16908): 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\4\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\4\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.
12:05:57 (10332): wrapper (7.9.26016): starting
12:05:57 (10332): 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\4\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 0x000001A04AEF62A0, 8 bytes long.
 Data: <   J    > 00 00 EC 4A A0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001A04AEF6FA0, 1080 bytes long.
 Data: < 8      P       > 84 38 00 00 CD CD CD CD 50 01 00 00 00 00 00 00 
Object dump complete.
12:10:43 (5908): wrapper (7.9.26016): starting
12:10:43 (5908): 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\4\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1892} normal block at 0x0000023B37026B30, 8 bytes long.
 Data: <  N7;   > 00 00 4E 37 3B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000023B37026FC0, 1080 bytes long.
 Data: <t]      H       > 74 5D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
12:11:45 (23252): wrapper (7.9.26016): starting
12:11:45 (23252): 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\4\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 0x000001A14E865D20, 8 bytes long.
 Data: <   N    > 00 00 C3 4E A1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001A14E866FC0, 1080 bytes long.
 Data: <`A      L       > 60 41 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>