Task 38644225
| Name | shp2_A01_A13_r0_5-QUICO_ATM_GAFF2_NAGL_shp2-4-6-RND2272_0 |
| Workunit | 31589967 |
| Created | 8 May 2026, 8:20:36 UTC |
| Sent | 8 May 2026, 8:20:38 UTC |
| Report deadline | 13 May 2026, 8:20:38 UTC |
| Received | 10 May 2026, 8:45:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651963 |
| Run time | 14 hours 52 min 15 sec |
| CPU time | 13 hours 25 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 40,090.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 890.61 MB |
| Peak swap size | 7.25 GB |
| Peak disk usage | 3.29 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:25:34 (28508): wrapper (7.9.26016): starting
03:25:34 (28508): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A13_0.pdb
QB_A01_A13_0.xml
QB_A01_A13.inpcrd
QB_A01_A13_input.yaml
QB_A01_A13.pdb
QB_A01_A13.prmtop
QB_A01_A13_sys.xml
run.bat
run.sh
03:25:54 (28508): Library/usr/bin/tar.exe exited; CPU time 0.156250
03:25:54 (28508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835122} normal block at 0x0000027FCBC5F8B0, 8 bytes long.
Data: < > 00 00 C0 CB 7F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000027FCBC4DDE0, 1080 bytes long.
Data: < I > 8C 49 00 00 CD CD CD CD CC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000027FCBC65160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:49:57 (3268): wrapper (7.9.26016): starting
04:49:57 (3268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001D73A866430, 8 bytes long.
Data: < : > 00 00 83 3A D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001D73A865D60, 1080 bytes long.
Data: < B @ > 8C 42 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
07:57:20 (25576): wrapper (7.9.26016): starting
07:57:20 (25576): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001FDA4FA6890, 8 bytes long.
Data: < / > 00 00 2F A5 FD 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001FDA4FA5D60, 1080 bytes long.
Data: <<J \ > 3C 4A 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
08:00:56 (24236): wrapper (7.9.26016): starting
08:00:56 (24236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000021611876430, 8 bytes long.
Data: < > 00 00 D7 11 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000021611875D60, 1080 bytes long.
Data: < a 0 > 84 61 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
08:36:26 (27228): wrapper (7.9.26016): starting
08:36:26 (27228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000257546C6A20, 8 bytes long.
Data: < iTW > 00 00 69 54 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000257546C5D60, 1080 bytes long.
Data: < Z H > 98 5A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:55:59 (25488): wrapper (7.9.26016): starting
08:55:59 (25488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002AF2E0D6ED0, 8 bytes long.
Data: < . > 00 00 09 2E AF 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002AF2E0D5D60, 1080 bytes long.
Data: <L_ H > 4C 5F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:01:50 (16456): wrapper (7.9.26016): starting
09:01:50 (16456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002644BD56960, 8 bytes long.
Data: < gMd > 00 00 67 4D 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002644BD57570, 1080 bytes long.
Data: < d P > 18 64 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:08:55 (6672): wrapper (7.9.26016): starting
09:08:55 (6672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001DDD2026C00, 8 bytes long.
Data: < V > 00 00 56 D2 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DDD2025D60, 1080 bytes long.
Data: < B ` > C4 42 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
Object dump complete.
09:16:27 (6152): wrapper (7.9.26016): starting
09:16:27 (6152): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001DB300B67F0, 8 bytes long.
Data: < d0 > 00 00 64 30 DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DB300B5D60, 1080 bytes long.
Data: < , \ > E0 2C 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
09:19:50 (5232): wrapper (7.9.26016): starting
09:19:50 (5232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000015DF0A86BB0, 8 bytes long.
Data: < ] > 00 00 9E F0 5D 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000015DF0A85D60, 1080 bytes long.
Data: < * H > B4 2A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:24:07 (23456): wrapper (7.9.26016): starting
09:24:07 (23456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002A9ADD367E0, 8 bytes long.
Data: < > 00 00 1D AE A9 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002A9ADD35EC0, 1080 bytes long.
Data: < ) \ > F4 29 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
10:03:50 (16980): wrapper (7.9.26016): starting
10:03:50 (16980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002D583C969D0, 8 bytes long.
Data: < s > 00 00 73 85 D5 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002D583C95D60, 1080 bytes long.
Data: <, H > 2C 0F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:35:36 (3588): wrapper (7.9.26016): starting
14:35:36 (3588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000017357896D90, 8 bytes long.
Data: < Ws > 00 00 84 57 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000017357895D60, 1080 bytes long.
Data: < ; , > 98 3B 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
21:49:00 (22696): wrapper (7.9.26016): starting
21:49:00 (22696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001D47BB271A0, 8 bytes long.
Data: < { > 00 00 FA 7B D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001D47BB25D60, 1080 bytes long.
Data: < q H > 98 71 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
00:35:13 (26628): wrapper (7.9.26016): starting
00:35:13 (26628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000201A7A46FF0, 8 bytes long.
Data: < > 00 00 A1 A7 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000201A7A47570, 1080 bytes long.
Data: < 9 p > 20 39 00 00 CD CD CD CD 70 00 00 00 00 00 00 00
Object dump complete.
06:26:23 (25680): wrapper (7.9.26016): starting
06:26:24 (25680): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000216DEAA65A0, 8 bytes long.
Data: < > 00 00 F8 DE 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000216DEAA5D40, 1080 bytes long.
Data: < - H > B4 2D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
06:38:00 (2416): wrapper (7.9.26016): starting
06:38:01 (2416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000134CB3E6930, 8 bytes long.
Data: < 4 > 00 00 89 CB 34 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000134CB3E5D60, 1080 bytes long.
Data: < r P > D8 72 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
06:41:20 (18460): wrapper (7.9.26016): starting
06:41:20 (18460): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001A142D87100, 8 bytes long.
Data: < >C > 00 00 3E 43 A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001A142D85D60, 1080 bytes long.
Data: < H > 10 1F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
07:54:09 (19492): wrapper (7.9.26016): starting
07:54:09 (19492): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000164A7E56430, 8 bytes long.
Data: < d > 00 00 1F A8 64 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000164A7E55D60, 1080 bytes long.
Data: < H > F8 1A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
07:58:36 (29208): wrapper (7.9.26016): starting
07:58:36 (29208): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000224F8F269D0, 8 bytes long.
Data: < G $ > 00 00 47 F9 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000224F8F25D60, 1080 bytes long.
Data: < H > C8 0D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:13:38 (25684): wrapper (7.9.26016): starting
08:13:38 (25684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000022DDCEA6520, 8 bytes long.
Data: < - > 00 00 8D DE 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000022DDCEA5D60, 1080 bytes long.
Data: <dM H > 64 4D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:46:35 (27892): wrapper (7.9.26016): starting
08:46:35 (27892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001FDFC716890, 8 bytes long.
Data: < > 00 00 BB FC FD 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001FDFC715D60, 1080 bytes long.
Data: < H > A4 1B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:01:58 (24744): wrapper (7.9.26016): starting
09:01:58 (24744): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000255B0D86ED0, 8 bytes long.
Data: < U > 00 00 1E B1 55 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000255B0D85D60, 1080 bytes long.
Data: <H= H > 48 3D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:06:17 (19080): wrapper (7.9.26016): starting
09:06:17 (19080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000026923CE6190, 8 bytes long.
Data: < !$i > 00 00 21 24 69 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000026923CE7570, 1080 bytes long.
Data: < ? H > 9C 3F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:29:24 (17840): wrapper (7.9.26016): starting
09:29:24 (17840): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001F6EE276980, 8 bytes long.
Data: < m > 00 00 6D EE F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F6EE275D60, 1080 bytes long.
Data: < " H > B8 22 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:14:25 (10720): wrapper (7.9.26016): starting
11:14:25 (10720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000157C7AA6C00, 8 bytes long.
Data: < W > 00 00 A7 C7 57 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000157C7AA5D60, 1080 bytes long.
Data: < o \ > C0 6F 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
11:38:31 (22248): wrapper (7.9.26016): starting
11:38:31 (22248): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001AB3F8A6DE0, 8 bytes long.
Data: < ? > 00 00 DD 3F AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001AB3F8A5D60, 1080 bytes long.
Data: < F H > F8 46 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:03:09 (26576): wrapper (7.9.26016): starting
16:03:09 (26576): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000176A0AC6B60, 8 bytes long.
Data: < v > 00 00 00 A1 76 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000176A0AC5D60, 1080 bytes long.
Data: < U H > F4 55 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:05:24 (26748): wrapper (7.9.26016): starting
19:05:24 (26748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002804E876AC0, 8 bytes long.
Data: < P > 00 00 19 50 80 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002804E875D60, 1080 bytes long.
Data: < q T > D0 71 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
19:56:28 (10644): wrapper (7.9.26016): starting
19:56:28 (10644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000281AF606DE0, 8 bytes long.
Data: < > 00 00 A1 AF 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000281AF605D60, 1080 bytes long.
Data: < H > 10 0A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:13:42 (10028): wrapper (7.9.26016): starting
20:13:42 (10028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002759CFB6ED0, 8 bytes long.
Data: < D u > 00 00 44 9D 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002759CFB5D60, 1080 bytes long.
Data: < X H > FC 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:18:58 (15352): wrapper (7.9.26016): starting
20:18:58 (15352): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000028626956A50, 8 bytes long.
Data: < & > 00 00 DA 26 86 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000028626957570, 1080 bytes long.
Data: <8q \ > 38 71 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
20:39:43 (10748): wrapper (7.9.26016): starting
20:39:43 (10748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000285C3356CF0, 8 bytes long.
Data: < s > 00 00 73 C3 85 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000285C3355D60, 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.
20:54:44 (23728): wrapper (7.9.26016): starting
20:54:44 (23728): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000220AAA36E80, 8 bytes long.
Data: < > 00 00 F4 AA 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000220AAA35D60, 1080 bytes long.
Data: <Tn > 54 6E 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
21:08:27 (12744): wrapper (7.9.26016): starting
21:08:27 (12744): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000002AB89D86C50, 8 bytes long.
Data: < > 00 00 D2 89 AB 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002AB89D87220, 1080 bytes long.
Data: < H > B8 04 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
21:14:52 (19780): wrapper (7.9.26016): starting
21:14:52 (19780): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x00000246F0B16FA0, 8 bytes long.
Data: < F > 00 00 F9 F0 46 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000246F0B17570, 1080 bytes long.
Data: < ] H > B0 5D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
21:51:00 (6108): wrapper (7.9.26016): starting
21:51:00 (6108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000026FD9D46390, 8 bytes long.
Data: < o > 00 00 18 DA 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000026FD9D45D60, 1080 bytes long.
Data: < c P > BC 63 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
22:25:42 (13408): wrapper (7.9.26016): starting
22:25:42 (13408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1462} normal block at 0x000001E82AE66CD0, 8 bytes long.
Data: < 1+ > 00 00 31 2B E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001E82AE67570, 1080 bytes long.
Data: < P > C8 07 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:41:20 (17584): wrapper (7.9.26016): starting
23:41:20 (17584): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
03:43:06 (17584): C:/Windows/system32/cmd.exe exited; CPU time 11581.046875
03:43:06 (17584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 217256722 bytes.
Dumping objects ->
{1550} normal block at 0x0000020F8EEF1390, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x0000020F8EEF12B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x0000020F8EEF1080, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1517} normal block at 0x0000020F8EEF0EC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x0000020F8EEF11D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1475} normal block at 0x0000020F8EEDEF30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1462} normal block at 0x0000020F8EEF7090, 8 bytes long.
Data: < > 00 00 EB 8E 0F 02 00 00
{311} normal block at 0x0000020F8EEF66E0, 8 bytes long.
Data: <pu > 70 75 EF 8E 0F 02 00 00
{302} normal block at 0x0000020F8EEE7040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000020F8EEF6D70, 16 bytes long.
Data: <xt > 78 74 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000020F8EEF6FA0, 16 bytes long.
Data: <Pt > 50 74 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020F8EEF0940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000020F8EEF6F00, 16 bytes long.
Data: <(t > 28 74 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020F8EEF6CD0, 16 bytes long.
Data: < t > 00 74 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020F8EEF6870, 16 bytes long.
Data: < s > D8 73 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020F8EEF6FF0, 16 bytes long.
Data: < s > B0 73 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020F8EEF1320, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000020F8EEF6EB0, 16 bytes long.
Data: < > C8 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020F8EEF05E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000020F8EEF6820, 16 bytes long.
Data: < > A0 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020F8EEF67D0, 16 bytes long.
Data: <x > 78 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020F8EEF6370, 16 bytes long.
Data: <P > 50 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020F8EEF6A00, 16 bytes long.
Data: <( > 28 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020F8EEF6730, 16 bytes long.
Data: < > 00 EE ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020F8EEF6E60, 16 bytes long.
Data: < > D8 ED ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020F8EEF0A00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000020F8EEF61E0, 16 bytes long.
Data: < > B0 ED ED 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020F8EEDEDB0, 320 bytes long.
Data: < a > E0 61 EF 8E 0F 02 00 00 00 0A EF 8E 0F 02 00 00
{281} normal block at 0x0000020F8EEF65A0, 16 bytes long.
Data: < s > 90 73 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020F8EEF6410, 16 bytes long.
Data: <hs > 68 73 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020F8EEF00A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000020F8EEF6C80, 16 bytes long.
Data: <@s > 40 73 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020F8EEF0580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000020F8EEF6550, 16 bytes long.
Data: < r > 88 72 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020F8EEF6690, 16 bytes long.
Data: <`r > 60 72 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020F8EEF6190, 16 bytes long.
Data: <8r > 38 72 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020F8EEF6640, 16 bytes long.
Data: < r > 10 72 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020F8EEF6500, 16 bytes long.
Data: < q > E8 71 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020F8EEF64B0, 16 bytes long.
Data: < q > C0 71 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020F8EEF6460, 16 bytes long.
Data: <@ > 40 12 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020F8EEF1240, 40 bytes long.
Data: <`d 0 > 60 64 EF 8E 0F 02 00 00 30 EF ED 8E 0F 02 00 00
{267} normal block at 0x0000020F8EEF6E10, 16 bytes long.
Data: < q > A0 71 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020F8EEF6C30, 16 bytes long.
Data: <xq > 78 71 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020F8EEF04C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000020F8EEF65F0, 16 bytes long.
Data: <Pq > 50 71 EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020F8EEF7150, 992 bytes long.
Data: < e > F0 65 EF 8E 0F 02 00 00 C0 04 EF 8E 0F 02 00 00
{99} normal block at 0x0000020F8EEF03A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000020F8EEEE120, 16 bytes long.
Data: <p > 70 0D EF 8E 0F 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000020F8EEF0D70, 40 bytes long.
Data: < > 20 E1 EE 8E 0F 02 00 00 A0 03 EF 8E 0F 02 00 00
{76} normal block at 0x0000020F8EEEE8F0, 16 bytes long.
Data: < > 80 EA EF B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000020F8EEEE710, 16 bytes long.
Data: <@ > 40 E9 EF B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000020F8EEEDAE0, 16 bytes long.
Data: < W > F8 57 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020F8EEEE2B0, 16 bytes long.
Data: < W > D8 57 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020F8EEEE800, 16 bytes long.
Data: <P > 50 04 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020F8EEEE260, 16 bytes long.
Data: <0 > 30 04 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020F8EEEE8A0, 16 bytes long.
Data: < > E0 02 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020F8EEEDC70, 16 bytes long.
Data: < > 10 04 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020F8EEEDA90, 16 bytes long.
Data: <p > 70 04 EC B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020F8EEEE0D0, 16 bytes long.
Data: < > 18 C0 EA B8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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