| Name | BACE_A06_A11_r0_5-QUICO_ATM_OpenFF23_NAGL_BACE-3-6-RND1501_1 |
| Workunit | 31584899 |
| Created | 4 May 2026, 9:17:29 UTC |
| Sent | 4 May 2026, 9:17:33 UTC |
| Report deadline | 9 May 2026, 9:17:33 UTC |
| Received | 8 May 2026, 12:50:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 551055 |
| Run time | 12 hours 4 min 3 sec |
| CPU time | 12 hours 4 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 11,342.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 616.50 MB |
| Peak swap size | 8.19 GB |
| Peak disk usage | 3.12 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:42:27 (48988): wrapper (7.9.26016): starting
03:42:27 (48988): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A11_0.pdb
QB_A06_A11_0.xml
QB_A06_A11.inpcrd
QB_A06_A11_input.yaml
QB_A06_A11.pdb
QB_A06_A11.prmtop
QB_A06_A11_sys.xml
run.bat
run.sh
03:42:28 (48988): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:42:28 (48988): 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 'J:\BOINC_Data\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 'J:\BOINC_Data\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) : {3835118} normal block at 0x0000024C26FFD480, 8 bytes long.
Data: < &L > 00 00 FA 26 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000024C26FED9B0, 1080 bytes long.
Data: < | < > AC 7C 00 00 CD CD CD CD 3C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024C26FF17D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:01:19 (49400): wrapper (7.9.26016): starting
07:01:19 (49400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000252D65C6100, 8 bytes long.
Data: < R > 00 00 A7 D6 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000252D65C7080, 1080 bytes long.
Data: < H > EC 48 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
07:44:12 (47072): wrapper (7.9.26016): starting
07:44:12 (47072): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000283110360E0, 8 bytes long.
Data: < > 00 00 FF 10 83 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000283110370B0, 1080 bytes long.
Data: < > 90 B2 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
09:03:54 (47120): wrapper (7.9.26016): starting
09:03:54 (47120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001AFEE5265E0, 8 bytes long.
Data: < > 00 00 A2 EE AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001AFEE5270B0, 1080 bytes long.
Data: < v > B0 76 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:53:01 (30868): wrapper (7.9.26016): starting
10:53:01 (30868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000027F35285F60, 8 bytes long.
Data: < 5 > 00 00 8F 35 7F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000027F352870C0, 1080 bytes long.
Data: < > 08 A2 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
15:37:56 (31008): wrapper (7.9.26016): starting
15:37:56 (31008): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000019415C95D70, 8 bytes long.
Data: < u > 00 00 75 17 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019415C970B0, 1080 bytes long.
Data: < H > 90 48 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:11:08 (35588): wrapper (7.9.26016): starting
18:11:08 (35588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000018C7FDD5C40, 8 bytes long.
Data: < > 00 00 D6 7F 8C 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000018C7FDD6800, 1080 bytes long.
Data: < > 9C 9C 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:59:33 (31420): wrapper (7.9.26016): starting
19:59:33 (31420): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002AEE2775D20, 8 bytes long.
Data: < > 00 00 E1 E2 AE 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002AEE27770B0, 1080 bytes long.
Data: < > A0 BA 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:36:18 (48448): wrapper (7.9.26016): starting
20:36:18 (48448): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000191F66062C0, 8 bytes long.
Data: < \ > 00 00 5C F6 91 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000191F66070B0, 1080 bytes long.
Data: <$Y > 24 59 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
22:56:00 (25416): wrapper (7.9.26016): starting
22:56:00 (25416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001F27E256540, 8 bytes long.
Data: < s~ > 00 00 73 7E F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001F27E2570B0, 1080 bytes long.
Data: < w > A0 77 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
23:22:17 (29308): wrapper (7.9.26016): starting
23:22:17 (29308): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000150961F6A90, 8 bytes long.
Data: < P > 00 00 18 96 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000150961F70B0, 1080 bytes long.
Data: <8 > 38 84 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
23:56:27 (6608): wrapper (7.9.26016): starting
23:56:27 (6608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000146BA3C63E0, 8 bytes long.
Data: < F > 00 00 A7 BA 46 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000146BA3C7090, 1080 bytes long.
Data: <pQ > 70 51 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
00:45:24 (38852): wrapper (7.9.26016): starting
00:45:24 (38852): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000023CC3D66200, 8 bytes long.
Data: < 1 < > 00 00 31 C4 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000023CC3D66B90, 1080 bytes long.
Data: <$ > 24 BC 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
01:31:47 (42536): wrapper (7.9.26016): starting
01:31:47 (42536): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000204A6D45CD0, 8 bytes long.
Data: < > 00 00 13 A7 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000204A6D470B0, 1080 bytes long.
Data: < W > D4 57 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
02:22:31 (29948): wrapper (7.9.26016): starting
02:22:31 (29948): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002E39D556BD0, 8 bytes long.
Data: < > 00 00 A8 9D E3 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002E39D5570B0, 1080 bytes long.
Data: <PL > 50 4C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:40:19 (35836): wrapper (7.9.26016): starting
03:40:19 (35836): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000025737F66280, 8 bytes long.
Data: < F8W > 00 00 46 38 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000025737F670C0, 1080 bytes long.
Data: < > 0C B5 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
05:07:45 (35000): wrapper (7.9.26016): starting
05:07:45 (35000): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000210DC3C5F80, 8 bytes long.
Data: < 8 > 00 00 38 DC 10 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000210DC3C7090, 1080 bytes long.
Data: < > DC 80 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
05:16:32 (43488): wrapper (7.9.26016): starting
05:16:32 (43488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000017775CB6630, 8 bytes long.
Data: < uw > 00 00 C4 75 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000017775CB70B0, 1080 bytes long.
Data: < > A4 90 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
06:06:21 (35768): wrapper (7.9.26016): starting
06:06:21 (35768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000286C7E764F0, 8 bytes long.
Data: < > 00 00 E3 C7 86 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000286C7E770B0, 1080 bytes long.
Data: < Y > 98 59 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:21:08 (47032): wrapper (7.9.26016): starting
09:21:08 (47032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000002045A0663C0, 8 bytes long.
Data: < YZ > 00 00 59 5A 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002045A0670C0, 1080 bytes long.
Data: <L > 4C A2 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:26:14 (37872): wrapper (7.9.26016): starting
09:26:14 (37872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001EE17AD5E60, 8 bytes long.
Data: < > 00 00 A3 17 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001EE17AD70B0, 1080 bytes long.
Data: <dA > 64 41 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:53:41 (43588): wrapper (7.9.26016): starting
10:53:41 (43588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000293F01864B0, 8 bytes long.
Data: < a > 00 00 61 F0 93 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000293F01870C0, 1080 bytes long.
Data: < > 14 0F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
11:45:17 (48684): wrapper (7.9.26016): starting
11:45:17 (48684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000228E8625EB0, 8 bytes long.
Data: < ] ( > 00 00 5D E8 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000228E86270B0, 1080 bytes long.
Data: <l\ > 6C 5C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:39:52 (49964): wrapper (7.9.26016): starting
13:39:52 (49964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001B583536220, 8 bytes long.
Data: < > 00 00 A0 83 B5 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001B5835370B0, 1080 bytes long.
Data: < > D4 C2 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
15:03:50 (2912): wrapper (7.9.26016): starting
15:03:50 (2912): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001DC186362F0, 8 bytes long.
Data: < > 00 00 C2 18 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001DC18637090, 1080 bytes long.
Data: <h > 68 88 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:26:42 (43864): wrapper (7.9.26016): starting
15:26:42 (43864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000019679AC5F50, 8 bytes long.
Data: < y > 00 00 A6 79 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019679AC70B0, 1080 bytes long.
Data: < > E4 97 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
17:18:22 (37196): wrapper (7.9.26016): starting
17:18:22 (37196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000022FC4DC6B80, 8 bytes long.
Data: < / > 00 00 D8 C4 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022FC4DC78D0, 1080 bytes long.
Data: <<t > 3C 74 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
18:38:14 (38700): wrapper (7.9.26016): starting
18:38:14 (38700): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000027D56C363B0, 8 bytes long.
Data: < V} > 00 00 BB 56 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000027D56C370B0, 1080 bytes long.
Data: < > D0 BA 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:29:06 (40212): wrapper (7.9.26016): starting
19:29:06 (40212): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000020E60886450, 8 bytes long.
Data: < ` > 00 00 85 60 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020E608870B0, 1080 bytes long.
Data: < Z > B0 5A 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
20:31:10 (37108): wrapper (7.9.26016): starting
20:31:10 (37108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000145D5A76810, 8 bytes long.
Data: < E > 00 00 F9 D5 45 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000145D5A770B0, 1080 bytes long.
Data: < > 20 96 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:23:39 (40856): wrapper (7.9.26016): starting
21:23:39 (40856): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000112EB216120, 8 bytes long.
Data: < > 00 00 1C EB 12 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000112EB217220, 1080 bytes long.
Data: <L > 4C 86 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:53:27 (46396): wrapper (7.9.26016): starting
21:53:27 (46396): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000192B02C5E60, 8 bytes long.
Data: < ' > 00 00 27 B0 92 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000192B02C70B0, 1080 bytes long.
Data: < > E4 12 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
22:00:30 (43060): wrapper (7.9.26016): starting
22:00:30 (43060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000026AD89475E0, 8 bytes long.
Data: < j > 00 00 D0 D8 6A 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000026AD8947E50, 1080 bytes long.
Data: < > BC B2 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
00:43:12 (39664): wrapper (7.9.26016): starting
00:43:12 (39664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001E0BB506350, 8 bytes long.
Data: < > 00 00 9E BB E0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E0BB507050, 1080 bytes long.
Data: <0 > 30 AE 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
00:48:21 (41560): wrapper (7.9.26016): starting
00:48:21 (41560): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000290B0C664F0, 8 bytes long.
Data: < > 00 00 BF B0 90 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000290B0C670B0, 1080 bytes long.
Data: <D > 44 A6 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
04:31:13 (2028): wrapper (7.9.26016): starting
04:31:13 (2028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001A0439D68B0, 8 bytes long.
Data: < C > 00 00 EB 43 A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001A0439D70B0, 1080 bytes long.
Data: < > 00 86 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
09:24:15 (47720): wrapper (7.9.26016): starting
09:24:15 (47720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000019644E663B0, 8 bytes long.
Data: < 5E > 00 00 35 45 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019644E670B0, 1080 bytes long.
Data: < > C8 B7 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
09:29:20 (41360): wrapper (7.9.26016): starting
09:29:20 (41360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000157EAA06540, 8 bytes long.
Data: < W > 00 00 EF EA 57 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000157EAA070B0, 1080 bytes long.
Data: < y > D4 79 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
10:44:18 (37488): wrapper (7.9.26016): starting
10:44:18 (37488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x00000242167C6210, 8 bytes long.
Data: < B > 00 00 D5 16 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000242167C70A0, 1080 bytes long.
Data: <$7 > 24 37 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:48:06 (39988): wrapper (7.9.26016): starting
14:48:06 (39988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000025C9B736090, 8 bytes long.
Data: < \ > 00 00 D2 9B 5C 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000025C9B7370B0, 1080 bytes long.
Data: < > D4 84 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
15:04:55 (37388): wrapper (7.9.26016): starting
15:04:55 (37388): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001E180256860, 8 bytes long.
Data: < > 00 00 20 80 E1 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E1802570B0, 1080 bytes long.
Data: <` > 60 09 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
02:23:43 (40132): wrapper (7.9.26016): starting
02:23:43 (40132): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001E06DBE5D00, 8 bytes long.
Data: < ko > 00 00 6B 6F E0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E06DBE6B90, 1080 bytes long.
Data: <x~ > 78 7E 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
03:32:46 (24624): wrapper (7.9.26016): starting
03:32:46 (24624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file J:\BOINC_Data\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
06:49:27 (24624): C:/Windows/system32/cmd.exe exited; CPU time 11310.265625
06:49:27 (24624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 208747291 bytes.
Dumping objects ->
{1551} normal block at 0x000001CE8C7356E0, 48 bytes long.
Data: <PATH=J:\BOINC_Da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1540} normal block at 0x000001CE8C72FE00, 32 bytes long.
Data: <HOME=J:\BOINC_Da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1529} normal block at 0x000001CE8C730580, 32 bytes long.
Data: <TMP=J:\BOINC_Dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61 74
{1518} normal block at 0x000001CE8C730520, 32 bytes long.
Data: <TEMP=J:\BOINC_Da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
{1507} normal block at 0x000001CE8C72F740, 32 bytes long.
Data: <TMPDIR=J:\BOINC_> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5F
{1476} normal block at 0x000001CE8C735210, 48 bytes long.
Data: <PATH=J:\BOINC_Da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5F 44 61
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001CE8C7363B0, 8 bytes long.
Data: < * > 00 00 2A 8E CE 01 00 00
{306} normal block at 0x000001CE8C7361D0, 8 bytes long.
Data: < ps > B0 70 73 8C CE 01 00 00
{297} normal block at 0x000001CE8C722820, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001CE8C735E10, 16 bytes long.
Data: < os > B8 6F 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CE8C735CD0, 16 bytes long.
Data: < os > 90 6F 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CE8C72FF80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001CE8C736270, 16 bytes long.
Data: <hos > 68 6F 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CE8C736130, 16 bytes long.
Data: <@os > 40 6F 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CE8C736220, 16 bytes long.
Data: < os > 18 6F 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CE8C7365E0, 16 bytes long.
Data: < ns > F0 6E 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CE8C735590, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001CE8C735D20, 16 bytes long.
Data: < q > 08 F5 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CE8C72FC80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001CE8C7362C0, 16 bytes long.
Data: < q > E0 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CE8C735D70, 16 bytes long.
Data: < q > B8 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CE8C736450, 16 bytes long.
Data: < q > 90 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CE8C736C20, 16 bytes long.
Data: <h q > 68 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CE8C7369F0, 16 bytes long.
Data: <@ q > 40 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CE8C735EB0, 16 bytes long.
Data: < q > 18 F4 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CE8C72FFE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001CE8C735FF0, 16 bytes long.
Data: < q > F0 F3 71 8C CE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CE8C71F3F0, 320 bytes long.
Data: < _s r > F0 5F 73 8C CE 01 00 00 E0 FF 72 8C CE 01 00 00
{276} normal block at 0x000001CE8C736810, 16 bytes long.
Data: < ns > D0 6E 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CE8C736400, 16 bytes long.
Data: < ns > A8 6E 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CE8C72FB60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001CE8C7360E0, 16 bytes long.
Data: < ns > 80 6E 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CE8C7304C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001CE8C7364A0, 16 bytes long.
Data: < ms > C8 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CE8C7366D0, 16 bytes long.
Data: < ms > A0 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CE8C736BD0, 16 bytes long.
Data: <xms > 78 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CE8C735FA0, 16 bytes long.
Data: <Pms > 50 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CE8C736720, 16 bytes long.
Data: <(ms > 28 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CE8C736360, 16 bytes long.
Data: < ms > 00 6D 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CE8C736040, 16 bytes long.
Data: < Ts > B0 54 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CE8C7354B0, 40 bytes long.
Data: <@`s Rs > 40 60 73 8C CE 01 00 00 10 52 73 8C CE 01 00 00
{262} normal block at 0x000001CE8C736090, 16 bytes long.
Data: < ls > E0 6C 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CE8C735DC0, 16 bytes long.
Data: < ls > B8 6C 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CE8C72FBC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001CE8C7364F0, 16 bytes long.
Data: < ls > 90 6C 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CE8C736C90, 992 bytes long.
Data: < ds r > F0 64 73 8C CE 01 00 00 C0 FB 72 8C CE 01 00 00
{94} normal block at 0x000001CE8C72F980, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001CE8C72DF40, 16 bytes long.
Data: < Us > 20 55 73 8C CE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001CE8C735520, 40 bytes long.
Data: <@ r r > 40 DF 72 8C CE 01 00 00 80 F9 72 8C CE 01 00 00
{71} normal block at 0x000001CE8C72E3A0, 16 bytes long.
Data: < i > 80 EA 69 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CE8C72DBD0, 16 bytes long.
Data: <@ i > 40 E9 69 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CE8C72D950, 16 bytes long.
Data: < Wf > F8 57 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CE8C72D8B0, 16 bytes long.
Data: < Wf > D8 57 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CE8C72D9A0, 16 bytes long.
Data: <P f > 50 04 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CE8C72DDB0, 16 bytes long.
Data: <0 f > 30 04 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CE8C72DEF0, 16 bytes long.
Data: < f > E0 02 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CE8C72D4A0, 16 bytes long.
Data: < f > 10 04 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CE8C72D630, 16 bytes long.
Data: <p f > 70 04 66 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CE8C72DA40, 16 bytes long.
Data: < d > 18 C0 64 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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