Task 38645491

Name	test_118-GPUGRID_TEST_ATM_500_20261023-0-1-RND8075_0
Workunit	31590455
Created	23 Oct 2026, 16:04:27 UTC
Sent	23 Oct 2026, 16:09:21 UTC
Report deadline	28 Oct 2026, 16:09:21 UTC
Received	26 Oct 2026, 13:58:48 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	625876
Run time	22 min 6 sec
CPU time	18 min 9 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	6,806.17 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	659.35 MB
Peak swap size	6.72 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
aborted by user</message>
<stderr_txt>
13:06:43 (31344): wrapper (7.9.26016): starting
13:06:43 (31344): 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
13:06:44 (31344): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:06:44 (31344): 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\1\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\1\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) : {3835261} normal block at 0x0000021650950A20, 8 bytes long.
 Data: <   P    > 00 00 D9 50 16 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x00000216525BC520, 1080 bytes long.
 Data: <8z      D       > 38 7A 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000002165094D2B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:35:40 (6004): wrapper (7.9.26016): starting
15:35:40 (6004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849944} normal block at 0x0000020C3325E2E0, 8 bytes long.
 Data: <  m3    > 00 00 6D 33 0C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848659} normal block at 0x0000020C3333E620, 1080 bytes long.
 Data: <xi              > 78 69 00 00 CD CD CD CD 10 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000020C33262750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
00:37:56 (26720): wrapper (7.9.26016): starting
00:37:56 (26720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849944} normal block at 0x0000015770EAEFA0, 8 bytes long.
 Data: <   rW   > 00 00 88 72 57 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848659} normal block at 0x0000015772BD56D0, 1080 bytes long.
 Data: <|I      (       > 7C 49 00 00 CD CD CD CD 28 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000015770EB2740, 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>
]]>