| Name | shp2_A20_A11_r0_1-QUICO_ATM_GAFF2_NAGL_shp2-5-6-RND5001_0 |
| Workunit | 31589031 |
| Created | 6 May 2026, 14:19:05 UTC |
| Sent | 6 May 2026, 14:19:09 UTC |
| Report deadline | 11 May 2026, 14:19:09 UTC |
| Received | 8 May 2026, 5:17:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604846 |
| Run time | 11 hours 0 min 4 sec |
| CPU time | 11 hours 0 min 4 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,162.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 940.74 MB |
| Peak swap size | 10.00 GB |
| Peak disk usage | 3.32 GB |
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
09:20:49 (99208): wrapper (7.9.26016): starting
09:20:49 (99208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A11_0.pdb
QB_A20_A11_0.xml
QB_A20_A11.inpcrd
QB_A20_A11_input.yaml
QB_A20_A11.pdb
QB_A20_A11.prmtop
QB_A20_A11_sys.xml
run.bat
run.sh
09:20:50 (99208): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:20:50 (99208): 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\11\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\11\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) : {3835107} normal block at 0x000001E377B0F740, 8 bytes long.
Data: < w > 00 00 FB 77 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001E3796FE990, 1080 bytes long.
Data: < 8 > C4 12 00 00 CD CD CD CD 38 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E377AFDF70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:01:14 (94288): wrapper (7.9.26016): starting
11:01:14 (94288): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000017B1E0FF7E0, 8 bytes long.
Data: < { > 00 00 07 1E 7B 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000017B1E100850, 1080 bytes long.
Data: <l& > 6C 26 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
13:01:21 (101788): wrapper (7.9.26016): starting
13:01:21 (101788): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000002D3FE41F6A0, 8 bytes long.
Data: < > 00 00 A5 FE D3 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000002D3FE420850, 1080 bytes long.
Data: < 0 > 20 30 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
14:17:03 (69128): wrapper (7.9.26016): starting
14:17:03 (69128): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000020000D50190, 8 bytes long.
Data: < > 00 00 D0 00 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020000D50850, 1080 bytes long.
Data: < > 84 8D 01 00 CD CD CD CD D4 01 00 00 00 00 00 00
Object dump complete.
14:36:18 (102160): wrapper (7.9.26016): starting
14:36:18 (102160): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001EAE687F560, 8 bytes long.
Data: < > 00 00 D5 E6 EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001EAE6880850, 1080 bytes long.
Data: <4 > 34 8F 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
16:35:35 (102924): wrapper (7.9.26016): starting
16:35:35 (102924): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000285C53F0190, 8 bytes long.
Data: < q > 00 00 71 C5 85 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000285C53F0850, 1080 bytes long.
Data: < > F8 81 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
16:47:29 (79804): wrapper (7.9.26016): starting
16:47:29 (79804): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000016F020CFE20, 8 bytes long.
Data: < ^ o > 00 00 5E 02 6F 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000016F020D0850, 1080 bytes long.
Data: <4 > 34 8E 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
17:03:02 (13908): wrapper (7.9.26016): starting
17:03:02 (13908): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001DE2A66FBF0, 8 bytes long.
Data: < `* > 00 00 60 2A DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001DE2A670850, 1080 bytes long.
Data: <@ > 40 93 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
17:12:50 (96408): wrapper (7.9.26016): starting
17:12:50 (96408): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000015E14F0F560, 8 bytes long.
Data: < ^ > 00 00 EA 14 5E 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000015E14F10850, 1080 bytes long.
Data: < p > A8 70 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
18:37:58 (103412): wrapper (7.9.26016): starting
18:37:58 (103412): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001802938F920, 8 bytes long.
Data: < .) > 00 00 2E 29 80 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000018029390850, 1080 bytes long.
Data: < > 04 84 01 00 CD CD CD CD D4 01 00 00 00 00 00 00
Object dump complete.
18:44:19 (87904): wrapper (7.9.26016): starting
18:44:19 (87904): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001D746C0F650, 8 bytes long.
Data: < F > 00 00 BB 46 D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001D746C10850, 1080 bytes long.
Data: < 0 > 84 30 01 00 CD CD CD CD D8 01 00 00 00 00 00 00
Object dump complete.
18:55:37 (101296): wrapper (7.9.26016): starting
18:55:37 (101296): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000216B5F9F920, 8 bytes long.
Data: < 8 > 00 00 38 B6 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000216B5FA0850, 1080 bytes long.
Data: <\h > 5C 68 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
19:01:40 (93980): wrapper (7.9.26016): starting
19:01:40 (93980): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001CB42DDFC40, 8 bytes long.
Data: < @C > 00 00 40 43 CB 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001CB42DE0850, 1080 bytes long.
Data: < y > F4 79 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
19:06:41 (73304): wrapper (7.9.26016): starting
19:06:41 (73304): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000017B5654FAB0, 8 bytes long.
Data: < QV{ > 00 00 51 56 7B 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000017B56550850, 1080 bytes long.
Data: < > 1C 8B 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
19:14:53 (26296): wrapper (7.9.26016): starting
19:14:53 (26296): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000174AF9CFA60, 8 bytes long.
Data: < t > 00 00 95 AF 74 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000174AF9D0850, 1080 bytes long.
Data: < > E4 8C 01 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
19:39:28 (103032): wrapper (7.9.26016): starting
19:39:28 (103032): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001E0667200F0, 8 bytes long.
Data: < f > 00 00 AD 66 E0 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E066720850, 1080 bytes long.
Data: <l > 6C 84 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
05:38:36 (102996): wrapper (7.9.26016): starting
05:38:36 (102996): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001C37ADFFEC0, 8 bytes long.
Data: < z > 00 00 DC 7A C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C37AE00850, 1080 bytes long.
Data: < 6 > F0 36 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
05:56:47 (94300): wrapper (7.9.26016): starting
05:56:47 (94300): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000027D46C5F650, 8 bytes long.
Data: < F} > 00 00 BF 46 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000027D46C60850, 1080 bytes long.
Data: <P{ > 50 7B 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
08:07:36 (103072): wrapper (7.9.26016): starting
08:07:36 (103072): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001BFD33DFE70, 8 bytes long.
Data: < > 00 00 F2 D4 BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001BFD33E0850, 1080 bytes long.
Data: < > AC 91 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
09:24:44 (102496): wrapper (7.9.26016): starting
09:24:44 (102496): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000013584C0FEC0, 8 bytes long.
Data: < 5 > 00 00 BC 84 35 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000013584C10850, 1080 bytes long.
Data: <x > 78 96 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
10:52:57 (104264): wrapper (7.9.26016): starting
10:52:57 (104264): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000248B8CBF560, 8 bytes long.
Data: < H > 00 00 16 B9 48 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000248B8CC0850, 1080 bytes long.
Data: < > DC 8B 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
11:05:19 (104764): wrapper (7.9.26016): starting
11:05:19 (104764): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000002182165F6F0, 8 bytes long.
Data: < # > 00 00 20 23 18 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000021821660850, 1080 bytes long.
Data: <D > 44 96 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
11:12:14 (101948): wrapper (7.9.26016): starting
11:12:14 (101948): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000027D9132FC90, 8 bytes long.
Data: < - } > 00 00 2D 91 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000027D91330850, 1080 bytes long.
Data: <p= > 70 3D 01 00 CD CD CD CD D4 01 00 00 00 00 00 00
Object dump complete.
11:27:14 (71568): wrapper (7.9.26016): starting
11:27:14 (71568): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001F76E43FAB0, 8 bytes long.
Data: < @n > 00 00 40 6E F7 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F76E440850, 1080 bytes long.
Data: < ~ > 08 7E 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
13:15:03 (78944): wrapper (7.9.26016): starting
13:15:03 (78944): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001AF05CAFD30, 8 bytes long.
Data: < > 00 00 C0 05 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001AF05CB0850, 1080 bytes long.
Data: < > 00 9A 01 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
15:55:29 (107044): wrapper (7.9.26016): starting
15:55:29 (107044): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001A4AC1AFF60, 8 bytes long.
Data: < > 00 00 13 AC A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001A4AC1B0850, 1080 bytes long.
Data: < > 8C 98 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
16:22:12 (74548): wrapper (7.9.26016): starting
16:22:12 (74548): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000018C4A48FF10, 8 bytes long.
Data: < J > 00 00 97 4A 8C 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000018C4A490850, 1080 bytes long.
Data: < > C8 A7 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
16:30:27 (85028): wrapper (7.9.26016): starting
16:30:27 (85028): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000218743CFB00, 8 bytes long.
Data: < |t > 00 00 7C 74 18 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000218743D0850, 1080 bytes long.
Data: < > 1C 9E 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
16:39:49 (106204): wrapper (7.9.26016): starting
16:39:49 (106204): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001AB0237FFB0, 8 bytes long.
Data: < > 00 00 8E 02 AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001AB02380850, 1080 bytes long.
Data: <t > 74 9A 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
16:55:41 (105724): wrapper (7.9.26016): starting
16:55:41 (105724): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000202FAD3FA60, 8 bytes long.
Data: < > 00 00 CC FA 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000202FAD40850, 1080 bytes long.
Data: <8h > 38 68 01 00 CD CD CD CD D8 01 00 00 00 00 00 00
Object dump complete.
17:01:04 (98548): wrapper (7.9.26016): starting
17:01:04 (98548): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001E29DBAF650, 8 bytes long.
Data: < > 00 00 B7 9D E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E29DBB0850, 1080 bytes long.
Data: < \ > 80 5C 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
17:11:45 (92216): wrapper (7.9.26016): starting
17:11:45 (92216): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000015F29CFFF60, 8 bytes long.
Data: < *_ > 00 00 18 2A 5F 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000015F29D00850, 1080 bytes long.
Data: < ? > D0 3F 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
18:14:31 (73040): wrapper (7.9.26016): starting
18:14:31 (73040): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000020761B40A50, 8 bytes long.
Data: < a > 00 00 E6 61 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020761B41610, 1080 bytes long.
Data: < > 20 A5 01 00 CD CD CD CD DC 01 00 00 00 00 00 00
Object dump complete.
18:55:24 (81480): wrapper (7.9.26016): starting
18:55:24 (81480): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x000001B2049DFE20, 8 bytes long.
Data: < > 00 00 DC 04 B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001B2049E0850, 1080 bytes long.
Data: < d > CC 64 01 00 CD CD CD CD D0 01 00 00 00 00 00 00
Object dump complete.
19:07:15 (109288): wrapper (7.9.26016): starting
19:07:15 (109288): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x00000208932C0140, 8 bytes long.
Data: < l > 00 00 6C 93 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000208932C0850, 1080 bytes long.
Data: < > C8 04 01 00 CD CD CD CD D8 01 00 00 00 00 00 00
Object dump complete.
19:15:06 (109520): wrapper (7.9.26016): starting
19:15:06 (109520): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1454} normal block at 0x0000020A68A5FE20, 8 bytes long.
Data: < h > 00 00 9E 68 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020A68A60850, 1080 bytes long.
Data: < > C0 A9 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
21:30:00 (108592): wrapper (7.9.26016): starting
21:30:00 (108592): 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\11\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
00:16:28 (108592): C:/Windows/system32/cmd.exe exited; CPU time 9994.906250
00:16:28 (108592): 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: 185851377 bytes.
Dumping objects ->
{1542} normal block at 0x000001956220B9C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x000001956220BE90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x000001956220BCD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x000001956220B950, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x000001956220BE20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x00000195621FC030, 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) : {1454} normal block at 0x000001956220F4C0, 8 bytes long.
Data: < b > 00 00 1D 62 95 01 00 00
{304} normal block at 0x00000195622101E0, 8 bytes long.
Data: <P !b > 50 08 21 62 95 01 00 00
{295} normal block at 0x00000195621FA350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001956220FE70, 16 bytes long.
Data: <X !b > 58 07 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019562210280, 16 bytes long.
Data: <0 !b > 30 07 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001956220A730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000019562210320, 16 bytes long.
Data: < !b > 08 07 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001956220F510, 16 bytes long.
Data: < !b > E0 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001956220FE20, 16 bytes long.
Data: < !b > B8 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001956220F470, 16 bytes long.
Data: < !b > 90 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001956220BC60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001956220FD30, 16 bytes long.
Data: < b > B8 BC 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001956220A490, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001956220FBF0, 16 bytes long.
Data: < b > 90 BC 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019562210190, 16 bytes long.
Data: <h b > 68 BC 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001956220F7E0, 16 bytes long.
Data: <@ b > 40 BC 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019562210140, 16 bytes long.
Data: < b > 18 BC 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001956220FBA0, 16 bytes long.
Data: < b > F0 BB 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001956220FAB0, 16 bytes long.
Data: < b > C8 BB 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001956220A430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000019562210230, 16 bytes long.
Data: < b > A0 BB 1F 62 95 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000195621FBBA0, 320 bytes long.
Data: <0 !b 0 b > 30 02 21 62 95 01 00 00 30 A4 20 62 95 01 00 00
{274} normal block at 0x0000019562210050, 16 bytes long.
Data: <p !b > 70 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001956220FA60, 16 bytes long.
Data: <H !b > 48 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001956220A5B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001956220F650, 16 bytes long.
Data: < !b > 20 06 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019562209AD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000195622100A0, 16 bytes long.
Data: <h !b > 68 05 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000195622100F0, 16 bytes long.
Data: <@ !b > 40 05 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001956220F790, 16 bytes long.
Data: < !b > 18 05 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001956220F6F0, 16 bytes long.
Data: < !b > F0 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001956220FFB0, 16 bytes long.
Data: < !b > C8 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001956220FA10, 16 bytes long.
Data: < !b > A0 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000195622103C0, 16 bytes long.
Data: <@ b > 40 BD 20 62 95 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001956220BD40, 40 bytes long.
Data: < !b 0 b > C0 03 21 62 95 01 00 00 30 C0 1F 62 95 01 00 00
{260} normal block at 0x000001956220FC90, 16 bytes long.
Data: < !b > 80 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019562210370, 16 bytes long.
Data: <X !b > 58 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001956220A250, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001956220F920, 16 bytes long.
Data: <0 !b > 30 04 21 62 95 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019562210430, 992 bytes long.
Data: < b P b > 20 F9 20 62 95 01 00 00 50 A2 20 62 95 01 00 00
{92} normal block at 0x0000019562209EF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000195621FC740, 16 bytes long.
Data: < b > 10 BB 20 62 95 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001956220BB10, 40 bytes long.
Data: <@ b b > 40 C7 1F 62 95 01 00 00 F0 9E 20 62 95 01 00 00
{69} normal block at 0x00000195621FD0A0, 16 bytes long.
Data: < > 80 EA 13 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000195621FCCE0, 16 bytes long.
Data: <@ > 40 E9 13 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000195621FC7E0, 16 bytes long.
Data: < W > F8 57 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000195621FCC40, 16 bytes long.
Data: < W > D8 57 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000195621FCB00, 16 bytes long.
Data: <P > 50 04 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000195621FCA60, 16 bytes long.
Data: <0 > 30 04 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000195621FCA10, 16 bytes long.
Data: < > E0 02 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000195621FC9C0, 16 bytes long.
Data: < > 10 04 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000195621FC5B0, 16 bytes long.
Data: <p > 70 04 10 89 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000195621FC6A0, 16 bytes long.
Data: < > 18 C0 0E 89 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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