Task 38642325
| Name | shp2_A20_A03_r0_1-QUICO_ATM_GAFF2_NAGL_shp2-2-6-RND3990_0 |
| Workunit | 31589040 |
| Created | 6 May 2026, 14:25:57 UTC |
| Sent | 6 May 2026, 14:26:11 UTC |
| Report deadline | 11 May 2026, 14:26:11 UTC |
| Received | 8 May 2026, 9:16:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 9 hours 49 min 42 sec |
| CPU time | 9 hours 49 min 42 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,497.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 890.93 MB |
| Peak swap size | 13.22 GB |
| Peak disk usage | 3.26 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:27:22 (2624): wrapper (7.9.26016): starting
11:27:22 (2624): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A03_0.pdb
QB_A20_A03_0.xml
QB_A20_A03.inpcrd
QB_A20_A03_input.yaml
QB_A20_A03.pdb
QB_A20_A03.prmtop
QB_A20_A03_sys.xml
run.bat
run.sh
11:27:24 (2624): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:27:24 (2624): 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\35\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\35\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) : {3835135} normal block at 0x0000029BFB0C68A0, 8 bytes long.
Data: < > 00 00 03 FB 9B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x0000029BFCD088C0, 1080 bytes long.
Data: < a > A0 61 00 00 CD CD CD CD FC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000029BFB0D13D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:56:38 (21336): wrapper (7.9.26016): starting
11:56:38 (21336): 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\35\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001FD2C6D2E10, 8 bytes long.
Data: < - > 00 00 F6 2D FD 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001FD2C6D39F0, 1080 bytes long.
Data: <|W H > 7C 57 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:15:56 (16728): wrapper (7.9.26016): starting
12:15:56 (16728): 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\35\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000022758EB2650, 8 bytes long.
Data: < X' > 00 00 DF 58 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022758EB3700, 1080 bytes long.
Data: < M H > BC 4D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:40:44 (7624): wrapper (7.9.26016): starting
12:40:44 (7624): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000227D96C2BF0, 8 bytes long.
Data: < ' > 00 00 10 DB 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000227D96C3980, 1080 bytes long.
Data: < H > BC 18 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:08:31 (23004): wrapper (7.9.26016): starting
13:08:31 (23004): 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\35\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000025E56242570, 8 bytes long.
Data: < W^ > 00 00 BC 57 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000025E56243A10, 1080 bytes long.
Data: < 3 H > C0 33 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:17:45 (2948): wrapper (7.9.26016): starting
13:17:45 (2948): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000286E98C2C10, 8 bytes long.
Data: < > 00 00 84 E9 86 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000286E98C36D0, 1080 bytes long.
Data: < b H > 80 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:36:07 (23336): wrapper (7.9.26016): starting
13:36:07 (23336): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001A00AFA4CB0, 8 bytes long.
Data: < > 00 00 82 0C A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A00AFA5870, 1080 bytes long.
Data: <hT L > 68 54 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
13:59:05 (24604): wrapper (7.9.26016): starting
13:59:05 (24604): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001FCB4102870, 8 bytes long.
Data: < > 00 00 06 B4 FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001FCB41039F0, 1080 bytes long.
Data: < X H > F0 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:02:06 (14000): wrapper (7.9.26016): starting
19:02:06 (14000): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000289D7D42BF0, 8 bytes long.
Data: < > 00 00 84 D9 89 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000289D7D43750, 1080 bytes long.
Data: < i L > F8 69 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
23:15:31 (23636): wrapper (7.9.26016): starting
23:15:31 (23636): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000018781182B90, 8 bytes long.
Data: < > 00 00 AF 82 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000187811839F0, 1080 bytes long.
Data: < J H > DC 4A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
00:26:35 (21044): wrapper (7.9.26016): starting
00:26:35 (21044): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000268097131D0, 8 bytes long.
Data: < k h > 00 00 6B 09 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000268097139F0, 1080 bytes long.
Data: <|f T > 7C 66 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
00:54:08 (9192): wrapper (7.9.26016): starting
00:54:08 (9192): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001EF94842E20, 8 bytes long.
Data: < y > 00 00 79 94 EF 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001EF94843700, 1080 bytes long.
Data: < e H > 94 65 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
07:46:50 (16796): wrapper (7.9.26016): starting
07:46:50 (16796): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001D66B8129C0, 8 bytes long.
Data: < }k > 00 00 7D 6B D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D66B813700, 1080 bytes long.
Data: < h H > BC 68 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:28:43 (25692): wrapper (7.9.26016): starting
08:28:43 (25692): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001B5F8C04BA0, 8 bytes long.
Data: < > 00 00 BC F8 B5 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001B5F8C05640, 1080 bytes long.
Data: <$] H > 24 5D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:17:23 (1504): wrapper (7.9.26016): starting
09:17:23 (1504): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000024E55D92B90, 8 bytes long.
Data: < UN > 00 00 D5 55 4E 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000024E55D939F0, 1080 bytes long.
Data: < k H > 84 6B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:24:58 (24728): wrapper (7.9.26016): starting
09:24:58 (24728): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001C5272826F0, 8 bytes long.
Data: < !' > 00 00 21 27 C5 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001C527283840, 1080 bytes long.
Data: < 2 H > 88 32 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:47:36 (23024): wrapper (7.9.26016): starting
09:47:36 (23024): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001BCA3454240, 8 bytes long.
Data: < > > 00 00 3E A3 BC 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001BCA3454E10, 1080 bytes long.
Data: < 7 H > CC 37 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:17:52 (9864): wrapper (7.9.26016): starting
10:17:52 (9864): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000002A7FF405330, 8 bytes long.
Data: < 9 > 00 00 39 FF A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002A7FF4060F0, 1080 bytes long.
Data: < b H > 94 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:42:52 (24328): wrapper (7.9.26016): starting
10:42:52 (24328): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000014B1E1532C0, 8 bytes long.
Data: < K > 00 00 09 1E 4B 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000014B1E1539F0, 1080 bytes long.
Data: <0` H > 30 60 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
10:55:13 (23064): wrapper (7.9.26016): starting
10:55:13 (23064): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000018F2E602870, 8 bytes long.
Data: < / > 00 00 F5 2F 8F 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000018F2E603840, 1080 bytes long.
Data: < + H > 8C 2B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:31:12 (26320): wrapper (7.9.26016): starting
12:31:12 (26320): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000021D0B493360, 8 bytes long.
Data: < > 00 00 EE 0C 1D 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000021D0B4939F0, 1080 bytes long.
Data: < g H > 90 67 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:27:55 (24084): wrapper (7.9.26016): starting
13:27:55 (24084): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001D6D1362320, 8 bytes long.
Data: < > 00 00 DA D2 D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D6D1363360, 1080 bytes long.
Data: < C H > 98 43 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:47:42 (4088): wrapper (7.9.26016): starting
13:47:42 (4088): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000017EC1E34890, 8 bytes long.
Data: < ~ > 00 00 DA C1 7E 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000017EC1E355B0, 1080 bytes long.
Data: < 2 H > F8 32 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:01:39 (27236): wrapper (7.9.26016): starting
15:01:39 (27236): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000284AF631FE0, 8 bytes long.
Data: < Y > 00 00 59 AF 84 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000284AF6336D0, 1080 bytes long.
Data: < Z H > E0 5A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:53:58 (7584): wrapper (7.9.26016): starting
15:53:58 (7584): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001B140FC4480, 8 bytes long.
Data: < @ > 00 00 F6 40 B1 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001B140FC55B0, 1080 bytes long.
Data: < H > E4 02 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:28:18 (11256): wrapper (7.9.26016): starting
16:28:18 (11256): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000022717AD2780, 8 bytes long.
Data: < Q ' > 00 00 51 19 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022717AD3840, 1080 bytes long.
Data: < / H > 14 2F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:34:52 (15536): wrapper (7.9.26016): starting
16:34:52 (15536): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000023846322DB0, 8 bytes long.
Data: < -F8 > 00 00 2D 46 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000238463239E0, 1080 bytes long.
Data: < ` H > E4 60 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:46:46 (21908): wrapper (7.9.26016): starting
16:46:46 (21908): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001C2766E28C0, 8 bytes long.
Data: < fv > 00 00 66 76 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001C2766E39F0, 1080 bytes long.
Data: < 3 H > A8 33 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
17:19:25 (19440): wrapper (7.9.26016): starting
17:19:25 (19440): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000242A65F2D20, 8 bytes long.
Data: < \ B > 00 00 5C A6 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000242A65F39F0, 1080 bytes long.
Data: < H > 98 20 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:22:42 (27428): wrapper (7.9.26016): starting
20:22:42 (27428): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001BF08662FF0, 8 bytes long.
Data: < a > 00 00 61 08 BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001BF086639F0, 1080 bytes long.
Data: <L^ H > 4C 5E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:41:16 (24916): wrapper (7.9.26016): starting
20:41:16 (24916): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000001BE196324B0, 8 bytes long.
Data: < > 00 00 08 1B BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001BE196339F0, 1080 bytes long.
Data: <hA H > 68 41 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:49:41 (20112): wrapper (7.9.26016): starting
20:49:41 (20112): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000019D436C25A0, 8 bytes long.
Data: < eC > 00 00 65 43 9D 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019D436C39F0, 1080 bytes long.
Data: < f H > D4 66 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:58:06 (21764): wrapper (7.9.26016): starting
20:58:06 (21764): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000016DDA2C2BE0, 8 bytes long.
Data: < & m > 00 00 26 DA 6D 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000016DDA2C39F0, 1080 bytes long.
Data: < g H > 1C 67 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:06:25 (18568): wrapper (7.9.26016): starting
23:06:25 (18568): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x00000174301A29B0, 8 bytes long.
Data: < 0t > 00 00 12 30 74 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000174301A39F0, 1080 bytes long.
Data: < ; H > 0C 3B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:12:43 (5000): wrapper (7.9.26016): starting
23:12:43 (5000): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000023781C73120, 8 bytes long.
Data: < k 7 > 00 00 6B 83 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023781C739E0, 1080 bytes long.
Data: < b H > 88 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:42:49 (10652): wrapper (7.9.26016): starting
23:42:49 (10652): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1484} normal block at 0x000002BBB3732D70, 8 bytes long.
Data: < m > 00 00 6D B3 BB 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002BBB37339F0, 1080 bytes long.
Data: < H > E0 0F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
00:21:44 (1348): wrapper (7.9.26016): starting
00:21:44 (1348): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
05:14:24 (1348): C:/Windows/system32/cmd.exe exited; CPU time 17811.453125
05:14:24 (1348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 291427698 bytes.
Dumping objects ->
{1573} normal block at 0x0000027B19B6CB40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x0000027B19B6CA60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x0000027B19B6C9F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1540} normal block at 0x0000027B19B6C7C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x0000027B19B6CC20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1498} normal block at 0x0000027B19B5AFB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x0000027B19B5AF10, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1484} normal block at 0x0000027B19B72450, 8 bytes long.
Data: < { > 00 00 AF 19 7B 02 00 00
{882} normal block at 0x0000027B19B734B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{302} normal block at 0x0000027B19B72D60, 8 bytes long.
Data: < 9 { > E0 39 B7 19 7B 02 00 00
{293} normal block at 0x0000027B19B56300, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000027B19B72810, 16 bytes long.
Data: < 8 { > E8 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027B19B72DB0, 16 bytes long.
Data: < 8 { > C0 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027B19B6D5B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000027B19B72B30, 16 bytes long.
Data: < 8 { > 98 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027B19B73030, 16 bytes long.
Data: <p8 { > 70 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027B19B72AE0, 16 bytes long.
Data: <H8 { > 48 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027B19B72A40, 16 bytes long.
Data: < 8 { > 20 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027B19B6C980, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000027B19B729A0, 16 bytes long.
Data: < { > 08 C6 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027B19B6D130, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000027B19B725E0, 16 bytes long.
Data: < { > E0 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027B19B733A0, 16 bytes long.
Data: < { > B8 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027B19B72590, 16 bytes long.
Data: < { > 90 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027B19B72BD0, 16 bytes long.
Data: <h { > 68 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027B19B730D0, 16 bytes long.
Data: <@ { > 40 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027B19B73350, 16 bytes long.
Data: < { > 18 C5 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027B19B6D730, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000027B19B72F90, 16 bytes long.
Data: < { > F0 C4 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027B19B6C4F0, 320 bytes long.
Data: < / { 0 { > 90 2F B7 19 7B 02 00 00 30 D7 B6 19 7B 02 00 00
{272} normal block at 0x0000027B19B724F0, 16 bytes long.
Data: < 8 { > 00 38 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027B19B727C0, 16 bytes long.
Data: < 7 { > D8 37 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027B19B6D550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000027B19B729F0, 16 bytes long.
Data: < 7 { > B0 37 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027B19B6D490, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000027B19B72F40, 16 bytes long.
Data: < 6 { > F8 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027B19B72950, 16 bytes long.
Data: < 6 { > D0 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027B19B72FE0, 16 bytes long.
Data: < 6 { > A8 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027B19B72900, 16 bytes long.
Data: < 6 { > 80 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027B19B72770, 16 bytes long.
Data: <X6 { > 58 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027B19B72E50, 16 bytes long.
Data: <06 { > 30 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027B19B724A0, 16 bytes long.
Data: <P { > 50 C7 B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027B19B6C750, 40 bytes long.
Data: < $ { { > A0 24 B7 19 7B 02 00 00 B0 AF B5 19 7B 02 00 00
{258} normal block at 0x0000027B19B72D10, 16 bytes long.
Data: < 6 { > 10 36 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027B19B72720, 16 bytes long.
Data: < 5 { > E8 35 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027B19B6CF50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000027B19B72EA0, 16 bytes long.
Data: < 5 { > C0 35 B7 19 7B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000027B19B735C0, 992 bytes long.
Data: < . { P { > A0 2E B7 19 7B 02 00 00 50 CF B6 19 7B 02 00 00
{90} normal block at 0x0000027B19B6D4F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000027B19B66490, 16 bytes long.
Data: < { > E0 CD B6 19 7B 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000027B19B6CDE0, 40 bytes long.
Data: < d { { > 90 64 B6 19 7B 02 00 00 F0 D4 B6 19 7B 02 00 00
{67} normal block at 0x0000027B19B67390, 16 bytes long.
Data: < > 80 EA D3 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027B19B67340, 16 bytes long.
Data: <@ > 40 E9 D3 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027B19B67070, 16 bytes long.
Data: < W > F8 57 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027B19B66EE0, 16 bytes long.
Data: < W > D8 57 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027B19B66E90, 16 bytes long.
Data: <P > 50 04 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027B19B66E40, 16 bytes long.
Data: <0 > 30 04 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027B19B672F0, 16 bytes long.
Data: < > E0 02 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027B19B66AD0, 16 bytes long.
Data: < > 10 04 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027B19B67250, 16 bytes long.
Data: <p > 70 04 D0 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027B19B66F30, 16 bytes long.
Data: < > 18 C0 CE A4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra