Task 38584032
| Name | JNK1_A27_A38_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND6500_3 |
| Workunit | 31547221 |
| Created | 15 Dec 2025, 21:42:30 UTC |
| Sent | 15 Dec 2025, 21:42:36 UTC |
| Report deadline | 20 Dec 2025, 21:42:36 UTC |
| Received | 17 Dec 2025, 16:28:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Cancelled by server |
| Exit status | 202 (0x000000CA) EXIT_ABORTED_BY_PROJECT |
| Computer ID | 617005 |
| Run time | 1 days 16 hours 41 min 19 sec |
| CPU time | 1 days 10 hours 24 min 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,205.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.46 MB |
| Peak swap size | 2.26 GB |
| Peak disk usage | 3.38 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
00:46:00 (5716): wrapper (7.9.26016): starting
00:46:00 (5716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A38_0.pdb
QB_A27_A38_0.xml
QB_A27_A38_equil.pdb
QB_A27_A38.inpcrd
QB_A27_A38_input.yaml
QB_A27_A38_mdlambda.pdb
QB_A27_A38_min.pdb
QB_A27_A38_npt.pdb
QB_A27_A38_out_merged_nowater.pdb
QB_A27_A38.pdb
QB_A27_A38.prmtop
QB_A27_A38_sys.xml
QB_A27_A38_therm.pdb
run.bat
run.sh
00:46:04 (5716): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:46:04 (5716): 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 'D:\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 'D:\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) : {3835379} normal block at 0x000002397A468010, 8 bytes long.
Data: < {9 > 00 00 D3 7B 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002397BFD8050, 1080 bytes long.
Data: < > D4 1B 00 00 CD CD CD CD 80 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002397A474D20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:19:57 (16364): wrapper (7.9.26016): starting
08:19:57 (16364): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« D:\BOINC\slots\1\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1732} normal block at 0x00000207AE0E4960, 8 bytes long.
Data: < > 00 00 98 AF 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x00000207AE0E5020, 1080 bytes long.
Data: < > P > 80 3E 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
10:41:32 (10356): wrapper (7.9.26016): starting
10:41:32 (10356): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« D:\BOINC\slots\1\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1732} normal block at 0x00000293B6553A50, 8 bytes long.
Data: < R > 00 00 52 B6 93 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x00000293B6554250, 1080 bytes long.
Data: < > H > C0 3E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:20:43 (6108): wrapper (7.9.26016): starting
08:20:43 (6108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« D:\BOINC\slots\1\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1732} normal block at 0x0000012D5ABB32D0, 8 bytes long.
Data: < T\- > 00 00 54 5C 2D 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000012D5ABB4250, 1080 bytes long.
Data: < E H > 80 45 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:25:18 (13300): wrapper (7.9.26016): starting
11:25:18 (13300): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« D:\BOINC\slots\1\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1732} normal block at 0x000002C8C21944C0, 8 bytes long.
Data: < > 00 00 10 C2 C8 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002C8C2195230, 1080 bytes long.
Data: < H > F0 13 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:29:51 (716): wrapper (7.9.26016): starting
15:29:51 (716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« D:\BOINC\slots\1\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1732} normal block at 0x000001ADF5A83080, 8 bytes long.
Data: < > 00 00 A5 F5 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001ADF5A84230, 1080 bytes long.
Data: <|& H > 7C 26 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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