| Name | TYK2_A10_A04_r0_2-QUICO_ATM_OpenFF_TYK2-1-6-RND6959_3 |
| Workunit | 31561839 |
| Created | 15 Apr 2026, 4:46:47 UTC |
| Sent | 15 Apr 2026, 4:46:51 UTC |
| Report deadline | 20 Apr 2026, 4:46:51 UTC |
| Received | 16 Apr 2026, 23:19:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622673 |
| Run time | 21 hours 54 min 58 sec |
| CPU time | 21 hours 38 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 1,900.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.93 MB |
| Peak swap size | 6.71 GB |
| Peak disk usage | 3.08 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:09:13 (111360): wrapper (7.9.26016): starting
01:09:13 (111360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A04_0.pdb
QB_A10_A04_0.xml
QB_A10_A04.inpcrd
QB_A10_A04_input.yaml
QB_A10_A04.pdb
QB_A10_A04.prmtop
QB_A10_A04_sys.xml
run.bat
run.sh
01:09:15 (111360): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:09:15 (111360): 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) : {3835337} normal block at 0x000002622E65D2B0, 8 bytes long.
Data: < S.b > 00 00 53 2E 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000002623068E7E0, 1080 bytes long.
Data: < t > 94 91 01 00 CD CD CD CD 74 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002622E64FD40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:31:57 (5960): wrapper (7.9.26016): starting
09:31:57 (5960): 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) : {1682} normal block at 0x00000273E3B059B0, 8 bytes long.
Data: < s > 00 00 8A E3 73 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000273E3B04900, 1080 bytes long.
Data: <HR > 48 52 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
09:37:16 (20576): wrapper (7.9.26016): starting
09:37:16 (20576): 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) : {1682} normal block at 0x000001CC859F57D0, 8 bytes long.
Data: < > 00 00 88 85 CC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001CC859F4900, 1080 bytes long.
Data: <P/ > 50 2F 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
09:59:01 (8356): wrapper (7.9.26016): starting
09:59:01 (8356): 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) : {1682} normal block at 0x000001F9A7C05C30, 8 bytes long.
Data: < > 00 00 B3 A7 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F9A7C04900, 1080 bytes long.
Data: <`P > 60 50 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
10:33:20 (17416): wrapper (7.9.26016): starting
10:33:20 (17416): 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) : {1682} normal block at 0x000001DDC6475820, 8 bytes long.
Data: < , > 00 00 2C C6 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001DDC6474900, 1080 bytes long.
Data: <t' > 74 27 00 00 CD CD CD CD D8 00 00 00 00 00 00 00
Object dump complete.
11:05:17 (24628): wrapper (7.9.26016): starting
11:05:17 (24628): 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) : {1682} normal block at 0x000002DAB4695AA0, 8 bytes long.
Data: < U > 00 00 55 B4 DA 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002DAB4694900, 1080 bytes long.
Data: <H, > 48 2C 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
11:10:25 (23788): wrapper (7.9.26016): starting
11:10:25 (23788): 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) : {1682} normal block at 0x000002B9C6965CD0, 8 bytes long.
Data: < t > 00 00 74 C6 B9 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002B9C6964900, 1080 bytes long.
Data: <4` > 34 60 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:34:39 (21096): wrapper (7.9.26016): starting
11:34:39 (21096): 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) : {1682} normal block at 0x000001D2D05F5A00, 8 bytes long.
Data: < @ > 00 00 40 D0 D2 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001D2D05F4900, 1080 bytes long.
Data: < > FC 16 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:39:49 (7940): wrapper (7.9.26016): starting
11:39:49 (7940): 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) : {1682} normal block at 0x0000025095015CD0, 8 bytes long.
Data: < P > 00 00 E0 94 50 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000025095014900, 1080 bytes long.
Data: <8P > 38 50 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
11:47:17 (30580): wrapper (7.9.26016): starting
11:47:17 (30580): 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) : {1682} normal block at 0x0000027F6BE354B0, 8 bytes long.
Data: < k > 00 00 C8 6B 7F 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000027F6BE34900, 1080 bytes long.
Data: <(r > 28 72 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
11:54:34 (16664): wrapper (7.9.26016): starting
11:54:34 (16664): 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) : {1682} normal block at 0x0000021F64ED5C30, 8 bytes long.
Data: < d > 00 00 E4 64 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000021F64ED4900, 1080 bytes long.
Data: < I > A8 49 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
12:01:41 (12456): wrapper (7.9.26016): starting
12:01:41 (12456): 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) : {1682} normal block at 0x000002B749505AA0, 8 bytes long.
Data: < AI > 00 00 41 49 B7 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002B749504900, 1080 bytes long.
Data: < d > F8 64 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
16:50:05 (21120): wrapper (7.9.26016): starting
16:50:05 (21120): 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) : {1682} normal block at 0x00000252091B5C80, 8 bytes long.
Data: < R > 00 00 FC 08 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000252091B4900, 1080 bytes long.
Data: < K > 84 4B 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
Object dump complete.
00:22:11 (28096): wrapper (7.9.26016): starting
00:22:11 (28096): 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) : {1682} normal block at 0x000002C0E8665190, 8 bytes long.
Data: < F > 00 00 46 E8 C0 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002C0E8664900, 1080 bytes long.
Data: < a > E0 61 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
08:41:27 (12808): wrapper (7.9.26016): starting
08:41:27 (12808): 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) : {1682} normal block at 0x00000196AE295910, 8 bytes long.
Data: < > 00 00 0A AE 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000196AE294900, 1080 bytes long.
Data: < v > 20 76 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
Object dump complete.
08:45:31 (27872): wrapper (7.9.26016): starting
08:45:31 (27872): 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) : {1682} normal block at 0x0000021FAA415EB0, 8 bytes long.
Data: < ' > 00 00 27 AA 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000021FAA414900, 1080 bytes long.
Data: < h > B0 68 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
09:49:57 (18936): wrapper (7.9.26016): starting
09:49:57 (18936): 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) : {1682} normal block at 0x0000028C7FAD5280, 8 bytes long.
Data: < > 00 00 09 00 8C 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000028C7FAD4900, 1080 bytes long.
Data: < a > 80 61 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
Object dump complete.
09:55:06 (14560): wrapper (7.9.26016): starting
09:55:06 (14560): 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) : {1682} normal block at 0x000002F0F1885C30, 8 bytes long.
Data: < > 00 00 7F F1 F0 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002F0F1884900, 1080 bytes long.
Data: < r > 18 72 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
10:14:30 (15672): wrapper (7.9.26016): starting
10:14:30 (15672): 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) : {1682} normal block at 0x00000152D82158C0, 8 bytes long.
Data: < R > 00 00 14 D8 52 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000152D8214900, 1080 bytes long.
Data: < 1 > 80 31 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
10:19:39 (15232): wrapper (7.9.26016): starting
10:19:39 (15232): 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) : {1682} normal block at 0x00000262D2855730, 8 bytes long.
Data: < f b > 00 00 66 D2 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000262D2854900, 1080 bytes long.
Data: <4[ > 34 5B 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
10:37:16 (27396): wrapper (7.9.26016): starting
10:37:16 (27396): 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) : {1682} normal block at 0x0000025B7F5551E0, 8 bytes long.
Data: < 0 [ > 00 00 30 7F 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000025B7F554900, 1080 bytes long.
Data: <| > 7C 0B 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
10:42:25 (25496): wrapper (7.9.26016): starting
10:42:25 (25496): 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) : {1682} normal block at 0x000002E9C5E75EB0, 8 bytes long.
Data: < > 00 00 DF C5 E9 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002E9C5E74900, 1080 bytes long.
Data: <x > 78 1C 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
11:11:27 (26516): wrapper (7.9.26016): starting
11:11:27 (26516): 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) : {1682} normal block at 0x000001D1F3175E10, 8 bytes long.
Data: < > 00 00 F4 F2 D1 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001D1F3174900, 1080 bytes long.
Data: < } > A0 7D 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:16:35 (10192): wrapper (7.9.26016): starting
11:16:35 (10192): 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) : {1682} normal block at 0x000001ACCA245780, 8 bytes long.
Data: < > 00 00 11 CA AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001ACCA244900, 1080 bytes long.
Data: < i > E0 69 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:22:08 (24564): wrapper (7.9.26016): starting
11:22:08 (24564): 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) : {1682} normal block at 0x000001F8E2B85230, 8 bytes long.
Data: < > 00 00 A7 E2 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F8E2B84900, 1080 bytes long.
Data: < > 10 16 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
11:27:17 (32404): wrapper (7.9.26016): starting
11:27:17 (32404): 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) : {1682} normal block at 0x0000022EAA5852D0, 8 bytes long.
Data: < N . > 00 00 4E AA 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000022EAA584900, 1080 bytes long.
Data: < / > F4 2F 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:30:25 (31284): wrapper (7.9.26016): starting
11:30:25 (31284): 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) : {1682} normal block at 0x0000016ECCB751E0, 8 bytes long.
Data: < n > 00 00 A4 CC 6E 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000016ECCB74900, 1080 bytes long.
Data: < > 94 04 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
11:35:35 (30732): wrapper (7.9.26016): starting
11:35:35 (30732): 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) : {1682} normal block at 0x000002B3EACC5A50, 8 bytes long.
Data: < > 00 00 A5 EA B3 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002B3EACC4900, 1080 bytes long.
Data: <h| > 68 7C 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:40:16 (29360): wrapper (7.9.26016): starting
11:40:16 (29360): 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) : {1682} normal block at 0x000001989DF45C30, 8 bytes long.
Data: < > 00 00 D4 9D 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001989DF44900, 1080 bytes long.
Data: < : > F0 3A 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:45:25 (25680): wrapper (7.9.26016): starting
11:45:25 (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) : {1682} normal block at 0x000002994ED85050, 8 bytes long.
Data: < N > 00 00 BC 4E 99 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002994ED84900, 1080 bytes long.
Data: < | > CC 7C 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:52:41 (21116): wrapper (7.9.26016): starting
11:52:41 (21116): 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) : {1682} normal block at 0x000001E162775370, 8 bytes long.
Data: < bb > 00 00 62 62 E1 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001E162774900, 1080 bytes long.
Data: <@, > 40 2C 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
12:18:41 (29852): wrapper (7.9.26016): starting
12:18:41 (29852): 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) : {1682} normal block at 0x0000017C510A5780, 8 bytes long.
Data: < P| > 00 00 EC 50 7C 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000017C510A4900, 1080 bytes long.
Data: < u x > 0C 75 00 00 CD CD CD CD 78 00 00 00 00 00 00 00
Object dump complete.
12:31:07 (32052): wrapper (7.9.26016): starting
12:31:07 (32052): 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) : {1682} normal block at 0x0000018319815A50, 8 bytes long.
Data: < n > 00 00 6E 19 83 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000018319814900, 1080 bytes long.
Data: < > C0 14 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
12:36:16 (14504): wrapper (7.9.26016): starting
12:36:16 (14504): 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) : {1682} normal block at 0x000001E35EDC59B0, 8 bytes long.
Data: < ^ > 00 00 D3 5E E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001E35EDC4900, 1080 bytes long.
Data: < o > 18 6F 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
12:54:47 (25720): wrapper (7.9.26016): starting
12:54:47 (25720): 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) : {1682} normal block at 0x0000015B990050F0, 8 bytes long.
Data: < [ > 00 00 F8 98 5B 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000015B99004900, 1080 bytes long.
Data: <|x > 7C 78 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
12:59:57 (26228): wrapper (7.9.26016): starting
12:59:57 (26228): 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) : {1682} normal block at 0x00000216664D5960, 8 bytes long.
Data: < 0f > 00 00 30 66 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000216664D4900, 1080 bytes long.
Data: < > A4 81 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
13:19:45 (31832): wrapper (7.9.26016): starting
13:19:45 (31832): 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) : {1682} normal block at 0x0000027CC48956E0, 8 bytes long.
Data: < j | > 00 00 6A C4 7C 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000027CC4894900, 1080 bytes long.
Data: <Lk > 4C 6B 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
13:24:55 (19776): wrapper (7.9.26016): starting
13:24:55 (19776): 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) : {1682} normal block at 0x000001E581BB52D0, 8 bytes long.
Data: < > 00 00 A6 81 E5 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001E581BB4900, 1080 bytes long.
Data: < j > C8 6A 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
13:37:20 (21404): wrapper (7.9.26016): starting
13:37:20 (21404): 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) : {1682} normal block at 0x000001FF4D6F5A00, 8 bytes long.
Data: < ]M > 00 00 5D 4D FF 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001FF4D6F4900, 1080 bytes long.
Data: < v > C8 76 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
13:40:22 (29756): wrapper (7.9.26016): starting
13:40:22 (29756): 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
19:17:47 (29756): C:/Windows/system32/cmd.exe exited; CPU time 20113.671875
19:17:47 (29756): 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: 366301044 bytes.
Dumping objects ->
{1770} normal block at 0x0000022C00C60DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1759} normal block at 0x0000022C00C608E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1748} normal block at 0x0000022C00C60D40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1737} normal block at 0x0000022C00C60870, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1726} normal block at 0x0000022C00C60CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1695} normal block at 0x0000022C00C50F50, 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) : {1682} normal block at 0x0000022C00C65A50, 8 bytes long.
Data: < , > 00 00 BC 00 2C 02 00 00
{308} normal block at 0x0000022C00C64FB0, 8 bytes long.
Data: < I , > 00 49 C6 00 2C 02 00 00
{299} normal block at 0x0000022C00C58170, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000022C00C654B0, 16 bytes long.
Data: <Hb , > 48 62 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022C00C65050, 16 bytes long.
Data: < b , > 20 62 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022C00C5F9B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000022C00C65230, 16 bytes long.
Data: < a , > F8 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022C00C650A0, 16 bytes long.
Data: < a , > D0 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022C00C65820, 16 bytes long.
Data: < a , > A8 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022C00C65A00, 16 bytes long.
Data: < a , > 80 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022C00C60AA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000022C00C65DC0, 16 bytes long.
Data: <8 , > 38 F2 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022C00C5F4D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000022C00C65D70, 16 bytes long.
Data: < , > 10 F2 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022C00C656E0, 16 bytes long.
Data: < , > E8 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022C00C64F60, 16 bytes long.
Data: < , > C0 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022C00C65640, 16 bytes long.
Data: < , > 98 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022C00C653C0, 16 bytes long.
Data: <p , > 70 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022C00C65EB0, 16 bytes long.
Data: <H , > 48 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022C00C5FA70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000022C00C657D0, 16 bytes long.
Data: < , > 20 F1 C4 00 2C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022C00C4F120, 320 bytes long.
Data: < W , p , > D0 57 C6 00 2C 02 00 00 70 FA C5 00 2C 02 00 00
{278} normal block at 0x0000022C00C65690, 16 bytes long.
Data: <`a , > 60 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022C00C65550, 16 bytes long.
Data: <8a , > 38 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022C00C5F590, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000022C00C65320, 16 bytes long.
Data: < a , > 10 61 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022C00C5F410, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000022C00C65000, 16 bytes long.
Data: <X` , > 58 60 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022C00C652D0, 16 bytes long.
Data: <0` , > 30 60 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022C00C65D20, 16 bytes long.
Data: < ` , > 08 60 C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022C00C65780, 16 bytes long.
Data: < _ , > E0 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022C00C65370, 16 bytes long.
Data: < _ , > B8 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022C00C65910, 16 bytes long.
Data: < _ , > 90 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022C00C658C0, 16 bytes long.
Data: < , > F0 0B C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022C00C60BF0, 40 bytes long.
Data: < X , P , > C0 58 C6 00 2C 02 00 00 50 0F C5 00 2C 02 00 00
{264} normal block at 0x0000022C00C655A0, 16 bytes long.
Data: <p_ , > 70 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022C00C65CD0, 16 bytes long.
Data: <H_ , > 48 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022C00C5FA10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000022C00C65C80, 16 bytes long.
Data: < _ , > 20 5F C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022C00C65F20, 992 bytes long.
Data: < \ , , > 80 5C C6 00 2C 02 00 00 10 FA C5 00 2C 02 00 00
{96} normal block at 0x0000022C00C5F5F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000022C00C5CC50, 16 bytes long.
Data: <` , > 60 0C C6 00 2C 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000022C00C60C60, 40 bytes long.
Data: <P , , > 50 CC C5 00 2C 02 00 00 F0 F5 C5 00 2C 02 00 00
{73} normal block at 0x0000022C00C5D650, 16 bytes long.
Data: < $= > 80 EA 24 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022C00C5CB60, 16 bytes long.
Data: <@ $= > 40 E9 24 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022C00C5D510, 16 bytes long.
Data: < W!= > F8 57 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022C00C5D560, 16 bytes long.
Data: < W!= > D8 57 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022C00C5D790, 16 bytes long.
Data: <P != > 50 04 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022C00C5D4C0, 16 bytes long.
Data: <0 != > 30 04 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022C00C5D3D0, 16 bytes long.
Data: < != > E0 02 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022C00C5C980, 16 bytes long.
Data: < != > 10 04 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022C00C5D420, 16 bytes long.
Data: <p != > 70 04 21 3D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022C00C5D740, 16 bytes long.
Data: < = > 18 C0 1F 3D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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