Task 38583395
| Name | JNK1_A09_A37_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND6256_0 |
| Workunit | 31547531 |
| Created | 14 Dec 2025, 3:44:25 UTC |
| Sent | 14 Dec 2025, 3:44:30 UTC |
| Report deadline | 19 Dec 2025, 3:44:30 UTC |
| Received | 17 Dec 2025, 16:43:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Cancelled by server |
| Exit status | 202 (0x000000CA) EXIT_ABORTED_BY_PROJECT |
| Computer ID | 617107 |
| Run time | 2 days 16 hours 9 min |
| CPU time | 1 days 12 hours 40 min 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,354.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.39 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.60 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
05:06:32 (75392): wrapper (7.9.26016): starting
05:06:32 (75392): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A37_0.pdb
QB_A09_A37_0.xml
QB_A09_A37_equil.pdb
QB_A09_A37.inpcrd
QB_A09_A37_input.yaml
QB_A09_A37_mdlambda.pdb
QB_A09_A37_min.pdb
QB_A09_A37_npt.pdb
QB_A09_A37_out_merged_nowater.pdb
QB_A09_A37.pdb
QB_A09_A37.prmtop
QB_A09_A37_sys.xml
QB_A09_A37_therm.pdb
run.bat
run.sh
05:06:41 (75392): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:06:41 (75392): 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\2\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\2\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) : {3835393} normal block at 0x0000014E8CADD1E0, 8 bytes long.
Data: < N > 00 00 AB 8C 4E 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000014E8E86DFB0, 1080 bytes long.
Data: < E > 90 45 01 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000014E8CAD10F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:42:04 (69436): wrapper (7.9.26016): starting
17:42:04 (69436): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x000001FB17296070, 8 bytes long.
Data: < v > 00 00 76 17 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001FB17296640, 1080 bytes long.
Data: < - > 20 2D 01 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:50:43 (54480): wrapper (7.9.26016): starting
19:50:43 (54480): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x000002909FE054E0, 8 bytes long.
Data: < - > 00 00 2D A0 90 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002909FE067F0, 1080 bytes long.
Data: <pT > 70 54 01 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:22:09 (80516): wrapper (7.9.26016): starting
20:22:09 (80516): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x0000019EB8015380, 8 bytes long.
Data: < N > 00 00 4E B8 9E 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000019EB8016620, 1080 bytes long.
Data: <h > 68 E0 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:57:00 (70044): wrapper (7.9.26016): starting
20:57:00 (70044): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x000001F8A90560C0, 8 bytes long.
Data: < X > 00 00 58 A9 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F8A9056640, 1080 bytes long.
Data: <TZ > 54 5A 01 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
05:00:01 (90960): wrapper (7.9.26016): starting
05:00:01 (90960): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x0000025AA65B5E40, 8 bytes long.
Data: < S Z > 00 00 53 A6 5A 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025AA65B6640, 1080 bytes long.
Data: <,^ > 2C 5E 01 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
05:00:01 (104820): wrapper (7.9.26016): starting
05:00:01 (104820): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x000001A505AB6BD0, 8 bytes long.
Data: < > 00 00 A2 05 A5 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001A505AB78A0, 1080 bytes long.
Data: < y > E8 79 01 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:27:28 (96392): wrapper (7.9.26016): starting
19:27:28 (96392): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x0000023985F05860, 8 bytes long.
Data: < O 9 > 00 00 4F 86 39 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000023985F066A0, 1080 bytes long.
Data: < > 80 A8 01 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
05:00:02 (111536): wrapper (7.9.26016): starting
05:00:02 (111536): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x00000254B8905A20, 8 bytes long.
Data: < T > 00 00 EA B8 54 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000254B8906680, 1080 bytes long.
Data: < p > 0C 9A 01 00 CD CD CD CD 70 00 00 00 00 00 00 00
Object dump complete.
07:41:46 (104936): wrapper (7.9.26016): starting
07:41:46 (104936): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1739} normal block at 0x000001C2049F6A40, 8 bytes long.
Data: < > 00 00 DB 04 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C2049F7150, 1080 bytes long.
Data: <t9 > 74 39 01 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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