Task 38631391
| Name | cdk8_A12_A11_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-2-6-RND4391_1 |
| Workunit | 31578941 |
| Created | 25 Apr 2026, 22:18:41 UTC |
| Sent | 25 Apr 2026, 22:18:44 UTC |
| Report deadline | 30 Apr 2026, 22:18:44 UTC |
| Received | 2 May 2026, 16:17:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638139 |
| Run time | 49 min 13 sec |
| CPU time | 49 min 13 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,469.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 920.44 MB |
| Peak swap size | 5.46 GB |
| Peak disk usage | 3.21 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:25:39 (4184): wrapper (7.9.26016): starting
18:25:39 (4184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A11_0.pdb
QB_A12_A11_0.xml
QB_A12_A11.inpcrd
QB_A12_A11_input.yaml
QB_A12_A11.pdb
QB_A12_A11.prmtop
QB_A12_A11_sys.xml
run.bat
run.sh
18:25:43 (4184): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:25:43 (4184): 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 'D:\BOINC_Data\slots\1\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 'D:\BOINC_Data\slots\1\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) : {3835126} normal block at 0x000002180729E3B0, 8 bytes long.
Data: < ' > 00 00 27 07 18 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000021808FB8930, 1080 bytes long.
Data: < i > A0 69 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021807291CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:35:47 (25648): wrapper (7.9.26016): starting
22:35:47 (25648): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000187B97071D0, 8 bytes long.
Data: < > 00 00 C4 B9 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000187B9707A70, 1080 bytes long.
Data: < B > F4 42 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
00:14:11 (17412): wrapper (7.9.26016): starting
00:14:11 (17412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
19:24:40 (19780): wrapper (7.9.26016): starting
19:24:40 (19780): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001C53A6C6870, 8 bytes long.
Data: < : > 00 00 B3 3A C5 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C53A6C7A70, 1080 bytes long.
Data: <P` > 50 60 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
16:59:50 (23444): wrapper (7.9.26016): starting
16:59:50 (23444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001D0C76F75E0, 8 bytes long.
Data: < > 00 00 B9 C7 D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001D0C76F7A70, 1080 bytes long.
Data: < q > 80 71 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
17:09:06 (8328): wrapper (7.9.26016): starting
17:09:06 (8328): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000016253CF7330, 8 bytes long.
Data: < Tb > 00 00 14 54 62 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000016253CF7A40, 1080 bytes long.
Data: <L" > 4C 22 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
17:26:41 (34040): wrapper (7.9.26016): starting
17:26:41 (34040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001E86C4869B0, 8 bytes long.
Data: < l > 00 00 91 6C E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001E86C487A20, 1080 bytes long.
Data: < u > B0 75 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
17:56:31 (26104): wrapper (7.9.26016): starting
17:56:31 (26104): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001EE21936400, 8 bytes long.
Data: < ! > 00 00 D9 21 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001EE219376F0, 1080 bytes long.
Data: <`C > 60 43 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:48:26 (27540): wrapper (7.9.26016): starting
19:48:26 (27540): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000022670766910, 8 bytes long.
Data: < p& > 00 00 CF 70 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000022670767A70, 1080 bytes long.
Data: < t > 20 74 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
20:42:37 (9448): wrapper (7.9.26016): starting
20:42:37 (9448): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000015D122A6960, 8 bytes long.
Data: < m ] > 00 00 6D 12 5D 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000015D122A7A70, 1080 bytes long.
Data: <(F > 28 46 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:51:55 (11600): wrapper (7.9.26016): starting
20:51:55 (11600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000002420CEE7F00, 8 bytes long.
Data: < 8 B > 00 00 38 0D 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002420CEE8B60, 1080 bytes long.
Data: < > DC 8A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:12:38 (23244): wrapper (7.9.26016): starting
21:12:38 (23244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000021FBB086870, 8 bytes long.
Data: < > 00 00 03 BB 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000021FBB087A70, 1080 bytes long.
Data: < > A0 88 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:54:15 (27192): wrapper (7.9.26016): starting
17:54:15 (27192): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000243CCEF6820, 8 bytes long.
Data: < " C > 00 00 22 CD 43 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000243CCEF7A70, 1080 bytes long.
Data: < a > D0 61 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:20:51 (4960): wrapper (7.9.26016): starting
18:20:51 (4960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000029301336E10, 8 bytes long.
Data: < b > 00 00 62 01 93 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000029301337A70, 1080 bytes long.
Data: < c > A8 63 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:49:26 (24220): wrapper (7.9.26016): starting
19:49:26 (24220): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000016B086A6B40, 8 bytes long.
Data: < k > 00 00 B8 08 6B 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000016B086A7A70, 1080 bytes long.
Data: < > B4 10 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
20:37:35 (7224): wrapper (7.9.26016): starting
20:37:35 (7224): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001FE185E6C80, 8 bytes long.
Data: < > 00 00 A8 18 FE 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001FE185E7A70, 1080 bytes long.
Data: <@a > 40 61 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:25:38 (3996): wrapper (7.9.26016): starting
17:25:38 (3996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000002511CED6F20, 8 bytes long.
Data: < # Q > 00 00 23 1D 51 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002511CED77C0, 1080 bytes long.
Data: < @ > 14 40 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:57:35 (19784): wrapper (7.9.26016): starting
17:57:35 (19784): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000226252E6C80, 8 bytes long.
Data: < %& > 00 00 80 25 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000226252E7A70, 1080 bytes long.
Data: < T > 04 54 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
19:11:14 (14308): wrapper (7.9.26016): starting
19:11:14 (14308): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000290AF3F6BE0, 8 bytes long.
Data: < > 00 00 84 AF 90 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000290AF3F7A70, 1080 bytes long.
Data: < j > 88 6A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:31:58 (28864): wrapper (7.9.26016): starting
17:31:58 (28864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000261A7C68280, 8 bytes long.
Data: < a > 00 00 11 A8 61 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000261A7C68C30, 1080 bytes long.
Data: <$o > 24 6F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:58:09 (20500): wrapper (7.9.26016): starting
17:58:09 (20500): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x00000196B4F37490, 8 bytes long.
Data: < > 00 00 EE B4 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000196B4F37A10, 1080 bytes long.
Data: < e > 14 65 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:49:02 (6336): wrapper (7.9.26016): starting
18:49:02 (6336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001A6E9A26A00, 8 bytes long.
Data: < > 00 00 9D E9 A6 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A6E9A27A70, 1080 bytes long.
Data: < U > 9C 55 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
20:10:23 (18312): wrapper (7.9.26016): starting
20:10:23 (18312): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
16:26:12 (25628): wrapper (7.9.26016): starting
16:26:12 (25628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000023F1ABC7030, 8 bytes long.
Data: < ? > 00 00 FF 1A 3F 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000023F1ABC7A10, 1080 bytes long.
Data: < 2 > C0 32 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:34:33 (21668): wrapper (7.9.26016): starting
16:34:33 (21668): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000024B27896810, 8 bytes long.
Data: < 3)K > 00 00 33 29 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000024B27897A10, 1080 bytes long.
Data: < d t > 94 64 00 00 CD CD CD CD 74 00 00 00 00 00 00 00
Object dump complete.
17:20:24 (8136): wrapper (7.9.26016): starting
17:20:24 (8136): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001B099728390, 8 bytes long.
Data: < k > 00 00 6B 99 B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001B099728960, 1080 bytes long.
Data: <<d > 3C 64 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:03:43 (19768): wrapper (7.9.26016): starting
18:03:43 (19768): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000028182246FE0, 8 bytes long.
Data: < m > 00 00 6D 82 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000028182247A10, 1080 bytes long.
Data: < z > B0 7A 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
18:09:42 (29164): wrapper (7.9.26016): starting
18:09:42 (29164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001C0DB7A6AA0, 8 bytes long.
Data: < > 00 00 AB DB C0 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C0DB7A7B10, 1080 bytes long.
Data: <0= > 30 3D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
18:29:02 (26636): wrapper (7.9.26016): starting
18:29:02 (26636): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000002AECD516900, 8 bytes long.
Data: < > 00 00 88 CD AE 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000002AECD517A10, 1080 bytes long.
Data: < e p > 90 65 00 00 CD CD CD CD 70 00 00 00 00 00 00 00
Object dump complete.
18:46:12 (27676): wrapper (7.9.26016): starting
18:46:12 (27676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000015A1D646970, 8 bytes long.
Data: < ] Z > 00 00 5D 1D 5A 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000015A1D647710, 1080 bytes long.
Data: < q > 04 71 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:52:28 (27076): wrapper (7.9.26016): starting
18:52:28 (27076): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001D767F46B90, 8 bytes long.
Data: < 7h > 00 00 37 68 D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001D767F47A70, 1080 bytes long.
Data: <l > 6C 14 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:31:29 (25512): wrapper (7.9.26016): starting
19:31:29 (25512): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000026BB6527360, 8 bytes long.
Data: < k > 00 00 98 B6 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000026BB6527A70, 1080 bytes long.
Data: < ? > 9C 3F 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
20:38:52 (23716): wrapper (7.9.26016): starting
20:38:52 (23716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x000001A8EFD56C80, 8 bytes long.
Data: < > 00 00 CD EF A8 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001A8EFD57B10, 1080 bytes long.
Data: < / > 90 2F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:23:11 (34268): wrapper (7.9.26016): starting
21:23:11 (34268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000028160746820, 8 bytes long.
Data: < ` > 00 00 BE 60 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000028160747B10, 1080 bytes long.
Data: <@g > 40 67 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:49:12 (4604): wrapper (7.9.26016): starting
21:49:12 (4604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1467} normal block at 0x0000025343576CA0, 8 bytes long.
Data: < CS > 00 00 8E 43 53 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000253435777C0, 1080 bytes long.
Data: <T2 > 54 32 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
10:23:13 (9664): wrapper (7.9.26016): starting
10:23:13 (9664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1468} normal block at 0x000001D89FF06EB0, 8 bytes long.
Data: < ' > 00 00 27 A0 D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001D89FF07A70, 1080 bytes long.
Data: <`G > 60 47 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
11:19:51 (28220): wrapper (7.9.26016): starting
11:19:51 (28220): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000001E399016C90, 8 bytes long.
Data: < _ > 00 00 5F 99 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001E3990179E0, 1080 bytes long.
Data: <$2 > 24 32 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
11:25:11 (28520): wrapper (7.9.26016): starting
11:25:11 (28520): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "D:\BOINC_Data\slots\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
pot = job['openmm_worker'].get_energy()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
return self._worker_getenergy()
^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_Data\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
state = self.simulation.context.getState(getEnergy = True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_Data\slots\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Particle coordinate is NaN. For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan
12:15:26 (28520): C:/Windows/system32/cmd.exe exited; CPU time 2953.546875
12:15:26 (28520): app exit status: 0x16
12:15:26 (28520): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 50439771 bytes.
Dumping objects ->
{1553} normal block at 0x00000266CCF65F30, 48 bytes long.
Data: <PATH=D:\BOINC_Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61
{1542} normal block at 0x00000266CCF60580, 32 bytes long.
Data: <HOME=D:\BOINC_Da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61
{1531} normal block at 0x00000266CCF60220, 32 bytes long.
Data: <TMP=D:\BOINC_Dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 74
{1520} normal block at 0x00000266CCF60040, 32 bytes long.
Data: <TEMP=D:\BOINC_Da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61
{1509} normal block at 0x00000266CCF60AC0, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{1478} normal block at 0x00000266CCF66160, 48 bytes long.
Data: <PATH=D:\BOINC_Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61
..\api\boinc_api.cpp(309) : {1465} normal block at 0x00000266CCF66B70, 8 bytes long.
Data: < f > 00 00 EF CC 66 02 00 00
{308} normal block at 0x00000266CCF66940, 8 bytes long.
Data: <Pz f > 50 7A F6 CC 66 02 00 00
{299} normal block at 0x00000266CCF52B30, 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 0x00000266CCF668A0, 16 bytes long.
Data: <Xy f > 58 79 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000266CCF674D0, 16 bytes long.
Data: <0y f > 30 79 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000266CCF60880, 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 0x00000266CCF66C60, 16 bytes long.
Data: < y f > 08 79 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000266CCF66800, 16 bytes long.
Data: < x f > E0 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000266CCF67110, 16 bytes long.
Data: < x f > B8 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000266CCF67480, 16 bytes long.
Data: < x f > 90 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000266CCF65AD0, 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 0x00000266CCF66C10, 16 bytes long.
Data: <X f > 58 FA F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000266CCF60280, 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 0x00000266CCF67020, 16 bytes long.
Data: <0 f > 30 FA F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000266CCF66850, 16 bytes long.
Data: < f > 08 FA F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000266CCF668F0, 16 bytes long.
Data: < f > E0 F9 F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000266CCF66710, 16 bytes long.
Data: < f > B8 F9 F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000266CCF666C0, 16 bytes long.
Data: < f > 90 F9 F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000266CCF672A0, 16 bytes long.
Data: <h f > 68 F9 F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000266CCF5FFE0, 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 0x00000266CCF67250, 16 bytes long.
Data: <@ f > 40 F9 F4 CC 66 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000266CCF4F940, 320 bytes long.
Data: <Pr f f > 50 72 F6 CC 66 02 00 00 E0 FF F5 CC 66 02 00 00
{278} normal block at 0x00000266CCF66BC0, 16 bytes long.
Data: <px f > 70 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000266CCF673E0, 16 bytes long.
Data: <Hx f > 48 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000266CCF60460, 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 0x00000266CCF66760, 16 bytes long.
Data: < x f > 20 78 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000266CCF602E0, 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 0x00000266CCF670C0, 16 bytes long.
Data: <hw f > 68 77 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000266CCF66B20, 16 bytes long.
Data: <@w f > 40 77 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000266CCF66D50, 16 bytes long.
Data: < w f > 18 77 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000266CCF67430, 16 bytes long.
Data: < v f > F0 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000266CCF66AD0, 16 bytes long.
Data: < v f > C8 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000266CCF66990, 16 bytes long.
Data: < v f > A0 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000266CCF67200, 16 bytes long.
Data: < ] f > E0 5D F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000266CCF65DE0, 40 bytes long.
Data: < r f `a f > 00 72 F6 CC 66 02 00 00 60 61 F6 CC 66 02 00 00
{264} normal block at 0x00000266CCF66670, 16 bytes long.
Data: < v f > 80 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000266CCF66D00, 16 bytes long.
Data: <Xv f > 58 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000266CCF607C0, 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 0x00000266CCF67070, 16 bytes long.
Data: <0v f > 30 76 F6 CC 66 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000266CCF67630, 992 bytes long.
Data: <pp f f > 70 70 F6 CC 66 02 00 00 C0 07 F6 CC 66 02 00 00
{96} normal block at 0x00000266CCF603A0, 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 0x00000266CCF5DC30, 16 bytes long.
Data: < f > 20 0B F5 CC 66 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000266CCF50B20, 40 bytes long.
Data: <0 f f > 30 DC F5 CC 66 02 00 00 A0 03 F6 CC 66 02 00 00
{73} normal block at 0x00000266CCF5E040, 16 bytes long.
Data: < I > 80 EA 49 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000266CCF5E680, 16 bytes long.
Data: <@ I > 40 E9 49 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000266CCF5E810, 16 bytes long.
Data: < WF > F8 57 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000266CCF5E180, 16 bytes long.
Data: < WF > D8 57 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000266CCF5E590, 16 bytes long.
Data: <P F > 50 04 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000266CCF5EB80, 16 bytes long.
Data: <0 F > 30 04 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000266CCF5E630, 16 bytes long.
Data: < F > E0 02 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000266CCF5DFF0, 16 bytes long.
Data: < F > 10 04 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000266CCF5E8B0, 16 bytes long.
Data: <p F > 70 04 46 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000266CCF5DFA0, 16 bytes long.
Data: < D > 18 C0 44 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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