Task 38583642

Name	JNK1_A10_A05_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND3673_0
Workunit	31547727
Created	14 Dec 2025, 11:42:39 UTC
Sent	14 Dec 2025, 11:42:47 UTC
Report deadline	19 Dec 2025, 11:42:47 UTC
Received	17 Dec 2025, 16:50:06 UTC
Server state	Over
Outcome	Computation error
Client state	Cancelled by server
Exit status	202 (0x000000CA) EXIT_ABORTED_BY_PROJECT
Computer ID	644379
Run time	1 days 18 hours 24 min 47 sec
CPU time	1 days 17 hours 3 min 59 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	43,950.03 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	734.61 MB
Peak swap size	8.52 GB
Peak disk usage	3.48 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
06:45:39 (27600): wrapper (7.9.26016): starting
06:45:39 (27600): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A05_0.pdb
QB_A10_A05_0.xml
QB_A10_A05_equil.pdb
QB_A10_A05.inpcrd
QB_A10_A05_input.yaml
QB_A10_A05_mdlambda.pdb
QB_A10_A05_min.pdb
QB_A10_A05_npt.pdb
QB_A10_A05.pdb
QB_A10_A05.prmtop
QB_A10_A05_sys.xml
QB_A10_A05_therm.pdb
run.bat
run.sh
06:45:40 (27600): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:45:40 (27600): 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) : {3835155} normal block at 0x0000027B5DADCD90, 8 bytes long.
 Data: <   ]{   > 00 00 A5 5D 7B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x0000027B5F854450, 1080 bytes long.
 Data: <L^              > 4C 5E 00 00 CD CD CD CD DC 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027B5DAD09D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:27:37 (27264): wrapper (7.9.26016): starting
09:27:37 (27264): 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) : {1504} normal block at 0x000002650A345600, 8 bytes long.
 Data: <  - e   > 00 00 2D 0A 65 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002650A3460D0, 1080 bytes long.
 Data: <                > FC 83 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
09:30:54 (25536): wrapper (7.9.26016): starting
09:30:54 (25536): 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) : {1504} normal block at 0x000001C45F106970, 8 bytes long.
 Data: <  P_    > 00 00 50 5F C4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001C45F107140, 1080 bytes long.
 Data: <t}              > 74 7D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
09:37:40 (28548): wrapper (7.9.26016): starting
09:37:40 (28548): 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) : {1504} normal block at 0x0000028DEBAA5C20, 8 bytes long.
 Data: <        > 00 00 FA EB 8D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000028DEBAA6380, 1080 bytes long.
 Data: <,}              > 2C 7D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
16:10:01 (8120): wrapper (7.9.26016): starting
16:10:01 (8120): 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) : {1504} normal block at 0x000001E6FEB566A0, 8 bytes long.
 Data: <        > 00 00 AF FE E6 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001E6FEB57140, 1080 bytes long.
 Data: <@T              > 40 54 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
17:37:38 (19000): wrapper (7.9.26016): starting
17:37:38 (19000): 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) : {1504} normal block at 0x0000019B602D50F0, 8 bytes long.
 Data: <   a    > 00 00 E3 61 9B 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019B602D6110, 1080 bytes long.
 Data: <$J              > 24 4A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
19:31:12 (16540): wrapper (7.9.26016): starting
19:31:12 (16540): 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) : {1504} normal block at 0x000001A08F585770, 8 bytes long.
 Data: <        > 00 00 A3 8F A0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A08F586380, 1080 bytes long.
 Data: < U              > C4 55 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
21:26:58 (29668): wrapper (7.9.26016): starting
21:26:58 (29668): 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) : {1504} normal block at 0x000001DA194F5700, 8 bytes long.
 Data: <        > 00 00 9A 19 DA 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001DA194F63B0, 1080 bytes long.
 Data: < Q              > 98 51 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
23:17:10 (27636): wrapper (7.9.26016): starting
23:17:10 (27636): 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) : {1504} normal block at 0x000001B95CFF5F00, 8 bytes long.
 Data: <  L]    > 00 00 4C 5D B9 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001B95CFF63E0, 1080 bytes long.
 Data: < j              > 80 6A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
01:12:53 (3768): wrapper (7.9.26016): starting
01:12:53 (3768): 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) : {1504} normal block at 0x00000233B7A15600, 8 bytes long.
 Data: <    3   > 00 00 99 B7 33 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000233B7A163A0, 1080 bytes long.
 Data: < ,              > F4 2C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
03:26:44 (31176): wrapper (7.9.26016): starting
03:26:44 (31176): 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) : {1504} normal block at 0x0000020BA60E5B60, 8 bytes long.
 Data: <  L     > 00 00 4C A6 0B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020BA60E60E0, 1080 bytes long.
 Data: < !              > 98 21 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
05:21:39 (33772): wrapper (7.9.26016): starting
05:21:39 (33772): 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) : {1504} normal block at 0x0000025CD6545320, 8 bytes long.
 Data: <  L \   > 00 00 4C D6 5C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000025CD65463E0, 1080 bytes long.
 Data: <p?              > 70 3F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
07:10:18 (15016): wrapper (7.9.26016): starting
07:10:18 (15016): 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) : {1504} normal block at 0x000001D042EF50F0, 8 bytes long.
 Data: <   B    > 00 00 E6 42 D0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D042EF6340, 1080 bytes long.
 Data: <                > 9C 06 00 00 CD CD CD CD B4 01 00 00 00 00 00 00 
Object dump complete.
09:02:07 (21608): wrapper (7.9.26016): starting
09:02:07 (21608): 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) : {1504} normal block at 0x000002324C915CD0, 8 bytes long.
 Data: <   L2   > 00 00 8E 4C 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002324C916340, 1080 bytes long.
 Data: <X               > 58 06 00 00 CD CD CD CD BC 01 00 00 00 00 00 00 
Object dump complete.
10:57:24 (13916): wrapper (7.9.26016): starting
10:57:24 (13916): 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) : {1504} normal block at 0x00000208F0ED59B0, 8 bytes long.
 Data: <  C     > 00 00 43 F1 08 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000208F0ED63E0, 1080 bytes long.
 Data: <0!              > 30 21 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
12:02:50 (4000): wrapper (7.9.26016): starting
12:02:50 (4000): 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) : {1504} normal block at 0x0000020BB0385320, 8 bytes long.
 Data: <        > 00 00 87 B0 0B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020BB03863E0, 1080 bytes long.
 Data: < 5              > 1C 35 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
13:30:23 (15644): wrapper (7.9.26016): starting
13:30:23 (15644): 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) : {1504} normal block at 0x00000115284D5C30, 8 bytes long.
 Data: <   (    > 00 00 8D 28 15 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000115284D63E0, 1080 bytes long.
 Data: < |              > B0 7C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
14:05:55 (18152): wrapper (7.9.26016): starting
14:05:55 (18152): 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) : {1504} normal block at 0x0000021DBCEC5730, 8 bytes long.
 Data: <        > 00 00 87 BE 1D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000021DBCEC63E0, 1080 bytes long.
 Data: <<-              > 3C 2D 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
14:13:27 (24136): wrapper (7.9.26016): starting
14:13:27 (24136): 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) : {1504} normal block at 0x0000019BE2C150A0, 8 bytes long.
 Data: <        > 00 00 BE E2 9B 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019BE2C163E0, 1080 bytes long.
 Data: < M              > E8 4D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
21:02:35 (29768): wrapper (7.9.26016): starting
21:02:35 (29768): 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) : {1504} normal block at 0x000001A6C76B55F0, 8 bytes long.
 Data: <  f     > 00 00 66 C7 A6 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A6C76B63E0, 1080 bytes long.
 Data: <                > 80 12 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
21:12:39 (17572): wrapper (7.9.26016): starting
21:12:39 (17572): 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) : {1504} normal block at 0x000001ACE8515690, 8 bytes long.
 Data: <        > 00 00 90 E8 AC 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001ACE85163E0, 1080 bytes long.
 Data: <                > 0C 1C 00 00 CD CD CD CD B0 00 00 00 00 00 00 00 
Object dump complete.
12:05:50 (26680): wrapper (7.9.26016): starting
12:05:50 (26680): 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) : {1504} normal block at 0x0000017D4FAD5550, 8 bytes long.
 Data: <   O}   > 00 00 EC 4F 7D 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000017D4FAD63E0, 1080 bytes long.
 Data: <4n              > 34 6E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
12:15:54 (13296): wrapper (7.9.26016): starting
12:15:54 (13296): 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) : {1504} normal block at 0x0000022ACE096B00, 8 bytes long.
 Data: <    *   > 00 00 06 CE 2A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022ACE097190, 1080 bytes long.
 Data: <                > 9C 81 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
13:18:48 (25704): wrapper (7.9.26016): starting
13:18:48 (25704): 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) : {1504} normal block at 0x0000015393615690, 8 bytes long.
 Data: <    S   > 00 00 BF 93 53 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000153936163E0, 1080 bytes long.
 Data: <XD              > 58 44 00 00 CD CD CD CD C4 01 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>