Task 38664928
| Name | test_365-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1921_0 |
| Workunit | 31608051 |
| Created | 25 Oct 2026, 0:22:51 UTC |
| Sent | 25 Oct 2026, 0:22:58 UTC |
| Report deadline | 30 Oct 2026, 0:22:58 UTC |
| Received | 27 Oct 2026, 23:59:06 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED |
| Computer ID | 654379 |
| Run time | 4 hours 23 min 43 sec |
| CPU time | 4 hours 23 min 43 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.75 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 15145.78 (10000000000.00G/660250.10G)</message>
<stderr_txt>
15:15:24 (46408): wrapper (7.9.26016): starting
15:15:24 (46408): 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
15:15:25 (46408): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:15:25 (46408): 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\18\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\18\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) : {3835174} normal block at 0x0000029A2A9AE180, 8 bytes long.
Data: < * > 00 00 E8 2A 9A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000029A2C8C5A60, 1080 bytes long.
Data: < > A0 B1 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029A2A9B2290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:06:36 (46628): wrapper (7.9.26016): starting
18:06:36 (46628): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x0000029289AF60C0, 8 bytes long.
Data: < > 00 00 AA 89 92 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000029289AF6FF0, 1080 bytes long.
Data: < K L > 04 4B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
18:32:06 (49604): wrapper (7.9.26016): starting
18:32:06 (49604): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x0000019BBA587EB0, 8 bytes long.
Data: < S > 00 00 53 BA 9B 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000019BBA588840, 1080 bytes long.
Data: < ( > EC B6 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
19:04:02 (5256): wrapper (7.9.26016): starting
19:04:02 (5256): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x0000015370FC6580, 8 bytes long.
Data: < MqS > 00 00 4D 71 53 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000015370FC7000, 1080 bytes long.
Data: < \ > C0 BF 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
10:14:21 (4600): wrapper (7.9.26016): starting
10:14:21 (4600): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000001FE094974D0, 8 bytes long.
Data: < > 00 00 00 0B FE 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001FE09498220, 1080 bytes long.
Data: <h5 L > 68 35 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
11:12:46 (19028): wrapper (7.9.26016): starting
11:12:46 (19028): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000002021DA29BA0, 8 bytes long.
Data: < > 00 00 04 1E 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002021DA2A080, 1080 bytes long.
Data: <@ X > 40 0E 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
11:46:38 (18376): wrapper (7.9.26016): starting
11:46:38 (18376): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x0000017AF4C562F0, 8 bytes long.
Data: < z > 00 00 C0 F4 7A 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000017AF4C55180, 1080 bytes long.
Data: < D > 80 A4 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
12:09:58 (19696): wrapper (7.9.26016): starting
12:09:58 (19696): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x00000206B36E7F50, 8 bytes long.
Data: < g > 00 00 67 B3 06 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000206B36E8840, 1080 bytes long.
Data: < ( > A8 14 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
14:05:52 (2980): wrapper (7.9.26016): starting
14:05:52 (2980): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x00000193A21A5B00, 8 bytes long.
Data: < } > 00 00 7D A2 93 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000193A21A6EE0, 1080 bytes long.
Data: < ( > F0 94 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
14:53:23 (5876): wrapper (7.9.26016): starting
14:53:23 (5876): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x000001D2D0675C70, 8 bytes long.
Data: < a > 00 00 61 D0 D2 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001D2D0677000, 1080 bytes long.
Data: < L > C4 B6 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
16:52:13 (43628): wrapper (7.9.26016): starting
16:52:13 (43628): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1515} normal block at 0x00000226C5AF6410, 8 bytes long.
Data: < & > 00 00 FC C5 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000226C5AF6F80, 1080 bytes long.
Data: < L > F0 91 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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