Task 38584272
| Name | JNK1_A04_A12_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND7684_4 |
| Workunit | 31545135 |
| Created | 16 Dec 2025, 23:35:30 UTC |
| Sent | 16 Dec 2025, 23:35:38 UTC |
| Report deadline | 21 Dec 2025, 23:35:38 UTC |
| Received | 17 Dec 2025, 16:46:01 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Cancelled by server |
| Exit status | 202 (0x000000CA) EXIT_ABORTED_BY_PROJECT |
| Computer ID | 640535 |
| Run time | 13 hours 42 min 59 sec |
| CPU time | 11 hours 49 min 6 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,247.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.23 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.13 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
18:02:06 (41128): wrapper (7.9.26016): starting
18:02:06 (41128): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A12_0.pdb
QB_A04_A12_0.xml
QB_A04_A12_equil.pdb
QB_A04_A12.inpcrd
QB_A04_A12_input.yaml
QB_A04_A12_mdlambda.pdb
QB_A04_A12_min.pdb
QB_A04_A12_npt.pdb
QB_A04_A12_out_merged_nowater.pdb
QB_A04_A12.pdb
QB_A04_A12.prmtop
QB_A04_A12_sys.xml
QB_A04_A12_therm.pdb
run.bat
run.sh
18:02:08 (41128): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:08 (41128): 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\0\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\0\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) : {3835351} normal block at 0x0000017C60D58C90, 8 bytes long.
Data: < b| > 00 00 87 62 7C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834084} normal block at 0x0000017C62E65920, 1080 bytes long.
Data: < > A0 8D 00 00 CD CD CD CD 14 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000017C60D50280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:44:40 (51392): wrapper (7.9.26016): starting
21:44:40 (51392): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1579} normal block at 0x0000028CB78A71F0, 8 bytes long.
Data: < > 00 00 87 B7 8C 02 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x0000028CB78A7D10, 1080 bytes long.
Data: < > A8 C5 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
22:42:28 (16808): wrapper (7.9.26016): starting
22:42:28 (16808): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1579} normal block at 0x000001FE9E484F50, 8 bytes long.
Data: < > 00 00 D4 9F FE 01 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000001FE9E484670, 1080 bytes long.
Data: < > 10 0A 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
23:30:43 (48616): wrapper (7.9.26016): starting
23:30:43 (48616): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1579} normal block at 0x00000220EE6B4030, 8 bytes long.
Data: < > 00 00 06 F0 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x00000220EE6B3610, 1080 bytes long.
Data: < B > A8 42 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
23:34:17 (50696): wrapper (7.9.26016): starting
23:34:17 (50696): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1579} normal block at 0x000001904D254620, 8 bytes long.
Data: < N > 00 00 BA 4E 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x000001904D253700, 1080 bytes long.
Data: < > C4 D1 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
23:42:09 (12780): wrapper (7.9.26016): starting
23:42:09 (12780): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1579} normal block at 0x0000025B79C55030, 8 bytes long.
Data: < h{[ > 00 00 68 7B 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {312} normal block at 0x0000025B79C54890, 1080 bytes long.
Data: < > 9C 13 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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