Task 38665282

Name	test_557-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2519_0
Workunit	31608390
Created	25 Oct 2026, 0:58:09 UTC
Sent	25 Oct 2026, 1:03:21 UTC
Report deadline	30 Oct 2026, 1:03:21 UTC
Received	25 Oct 2026, 8:20:37 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	652367
Run time	5 hours 48 min 15 sec
CPU time	5 hours 35 min 21 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	24,724.80 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	749.02 MB
Peak swap size	13.00 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
exceeded elapsed time limit 20893.85 (10000000000.00G/478609.80G)</message>
<stderr_txt>
04:08:39 (13760): wrapper (7.9.26016): starting
04:08:39 (13760): 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
04:08:43 (13760): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:08:43 (13760): 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\31\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\31\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) : {3835441} normal block at 0x000001E56164DD60, 8 bytes long.
 Data: <   a    > 00 00 CE 61 E5 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001E56347E2A0, 1080 bytes long.
 Data: <        (       > 10 A6 00 00 CD CD CD CD 28 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E561651C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:22:40 (37912): wrapper (7.9.26016): starting
09:22:40 (37912): 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\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x0000027D17C76510, 8 bytes long.
 Data: <  r }   > 00 00 72 19 7D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000027D17C770D0, 1080 bytes long.
 Data: <        0       > E0 A0 00 00 CD CD CD CD 30 01 00 00 00 00 00 00 
Object dump complete.
10:45:48 (5380): wrapper (7.9.26016): starting
10:45:48 (5380): 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\31\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1782} normal block at 0x000002C2228469C0, 8 bytes long.
 Data: <   "    > 00 00 D3 22 C2 02 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002C2228470D0, 1080 bytes long.
 Data: <        L       > 14 81 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>