Task 38584199
| Name | JNK1_A19_A12_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND2531_2 |
| Workunit | 31545159 |
| Created | 16 Dec 2025, 15:29:00 UTC |
| Sent | 16 Dec 2025, 15:29:03 UTC |
| Report deadline | 21 Dec 2025, 15:29:03 UTC |
| Received | 17 Dec 2025, 16:49:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Cancelled by server |
| Exit status | 202 (0x000000CA) EXIT_ABORTED_BY_PROJECT |
| Computer ID | 641194 |
| Run time | 2 hours 48 min 5 sec |
| CPU time | 2 hours 47 min 52 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,155.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 696.96 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
12:44:42 (15528): wrapper (7.9.26016): starting
12:44:42 (15528): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A12_0.pdb
QB_A19_A12_0.xml
QB_A19_A12_equil.pdb
QB_A19_A12.inpcrd
QB_A19_A12_input.yaml
QB_A19_A12_mdlambda.pdb
QB_A19_A12_min.pdb
QB_A19_A12_npt.pdb
QB_A19_A12_out_merged_nowater.pdb
QB_A19_A12.pdb
QB_A19_A12.prmtop
QB_A19_A12_sys.xml
QB_A19_A12_therm.pdb
run.bat
run.sh
12:44:43 (15528): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:44:43 (15528): 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\3\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\3\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) : {3835162} normal block at 0x000001934BBBD610, 8 bytes long.
Data: < L > 00 00 1B 4C 93 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001934DA834E0, 1080 bytes long.
Data: <d] > 64 5D 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001934BBB0C30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:49:04 (26508): wrapper (7.9.26016): starting
12:49:04 (26508): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001D281A361C0, 8 bytes long.
Data: < > 00 00 9E 81 D2 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001D281A36A60, 1080 bytes long.
Data: <\r > 5C 72 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:08:50 (33036): wrapper (7.9.26016): starting
13:08:50 (33036): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001A37C295A10, 8 bytes long.
Data: < #| > 00 00 23 7C A3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001A37C296A30, 1080 bytes long.
Data: < > D4 92 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
13:13:59 (31476): wrapper (7.9.26016): starting
13:13:59 (31476): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000294C7736EE0, 8 bytes long.
Data: < > 00 00 B3 C7 94 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000294C7737520, 1080 bytes long.
Data: < > 1C 89 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
14:04:57 (7984): wrapper (7.9.26016): starting
14:04:57 (7984): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000260C6CE5290, 8 bytes long.
Data: < ` > 00 00 17 C7 60 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000260C6CE63F0, 1080 bytes long.
Data: <TP > 54 50 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
08:51:10 (5668): wrapper (7.9.26016): starting
08:51:10 (5668): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x0000027177905F20, 8 bytes long.
Data: < wq > 00 00 FA 77 71 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000027177906AE0, 1080 bytes long.
Data: < / > C8 2F 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
08:59:07 (37232): wrapper (7.9.26016): starting
08:59:07 (37232): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000131153B5970, 8 bytes long.
Data: < 1 > 00 00 85 15 31 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000131153B6A30, 1080 bytes long.
Data: < 3 > 20 33 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:04:13 (27848): wrapper (7.9.26016): starting
09:04:13 (27848): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001DE0EF25CA0, 8 bytes long.
Data: < M > 00 00 4D 0F DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DE0EF26AE0, 1080 bytes long.
Data: < 8 > 18 38 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
10:16:25 (26196): wrapper (7.9.26016): starting
10:16:25 (26196): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001DE20466130, 8 bytes long.
Data: < > 00 00 82 20 DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DE20466AC0, 1080 bytes long.
Data: < 1 > AC 31 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:21:35 (16232): wrapper (7.9.26016): starting
10:21:35 (16232): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000204E7175FC0, 8 bytes long.
Data: < U > 00 00 55 E7 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000204E7176AE0, 1080 bytes long.
Data: <$x > 24 78 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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