Task 38581742
| Name | HIF2A_A08_A39_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND7657_1 |
| Workunit | 31546177 |
| Created | 12 Dec 2025, 14:11:57 UTC |
| Sent | 12 Dec 2025, 14:12:01 UTC |
| Report deadline | 17 Dec 2025, 14:12:01 UTC |
| Received | 12 Dec 2025, 21:19:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628812 |
| Run time | 1 hours 37 min 9 sec |
| CPU time | 1 hours 37 min 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,400.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.14 MB |
| Peak swap size | 12.52 GB |
| Peak disk usage | 2.92 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:25:46 (11680): wrapper (7.9.26016): starting
09:25:46 (11680): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A39_0.pdb
QB_A08_A39_0.xml
QB_A08_A39_equil.pdb
QB_A08_A39.inpcrd
QB_A08_A39_input.yaml
QB_A08_A39_mdlambda.pdb
QB_A08_A39_min.pdb
QB_A08_A39_npt.pdb
QB_A08_A39.pdb
QB_A08_A39.prmtop
QB_A08_A39_sys.xml
QB_A08_A39_therm.pdb
run.bat
run.sh
09:25:47 (11680): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:25:47 (11680): 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\slots\8\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\slots\8\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) : {3844557} normal block at 0x00000252FFA094A0, 8 bytes long.
Data: < " R > 00 00 22 80 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {3843020} normal block at 0x0000025282745790, 1080 bytes long.
Data: < f > AC 66 00 00 CD CD CD CD D0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000252FFA13D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:18:32 (23536): wrapper (7.9.26016): starting
10:18:32 (23536): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000125C5DC56F0, 8 bytes long.
Data: < % > 00 00 14 C6 25 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000125C5DC6030, 1080 bytes long.
Data: <|w d > 7C 77 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
10:23:21 (30408): wrapper (7.9.26016): starting
10:23:21 (30408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001E13EA35BA0, 8 bytes long.
Data: < > > 00 00 F5 3E E1 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001E13EA36030, 1080 bytes long.
Data: <Pf D > 50 66 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
10:25:06 (19360): wrapper (7.9.26016): starting
10:25:06 (19360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000002707C4051A0, 8 bytes long.
Data: < |p > 00 00 99 7C 70 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002707C406030, 1080 bytes long.
Data: < l > C0 1C 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
Object dump complete.
10:28:57 (31704): wrapper (7.9.26016): starting
10:28:57 (31704): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000233988E4F70, 8 bytes long.
Data: < 3 > 00 00 B6 98 33 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000233988E6030, 1080 bytes long.
Data: <Tk d > 54 6B 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
10:35:25 (6656): wrapper (7.9.26016): starting
10:35:25 (6656): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001EED4285B00, 8 bytes long.
Data: < < > 00 00 3C D4 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001EED4286030, 1080 bytes long.
Data: < d > 0C 0B 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
10:37:10 (6572): wrapper (7.9.26016): starting
10:37:10 (6572): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000002328A0156F0, 8 bytes long.
Data: < / 2 > 00 00 2F 8A 32 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002328A016030, 1080 bytes long.
Data: < O d > 8C 4F 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
10:50:29 (8828): wrapper (7.9.26016): starting
10:50:29 (8828): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001AB8E114ED0, 8 bytes long.
Data: < @ > 00 00 40 8E AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AB8E116030, 1080 bytes long.
Data: < w d > DC 77 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
10:53:52 (29264): wrapper (7.9.26016): starting
10:53:52 (29264): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000002BAC4D54D40, 8 bytes long.
Data: < 8 > 00 00 38 C5 BA 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002BAC4D56030, 1080 bytes long.
Data: < y d > 00 79 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:04:05 (24500): wrapper (7.9.26016): starting
11:04:05 (24500): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001E8E1695B00, 8 bytes long.
Data: < c > 00 00 63 E1 E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001E8E1696030, 1080 bytes long.
Data: < h > DC 06 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
11:06:13 (26028): wrapper (7.9.26016): starting
11:06:13 (26028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000023E68C75560, 8 bytes long.
Data: < h> > 00 00 E5 68 3E 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023E68C76030, 1080 bytes long.
Data: < a p > A0 61 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
Object dump complete.
11:08:43 (29700): wrapper (7.9.26016): starting
11:08:43 (29700): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000206C8AA4FC0, 8 bytes long.
Data: < > 00 00 E3 C8 06 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000206C8AA6030, 1080 bytes long.
Data: < ^ d > 94 5E 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:11:18 (28684): wrapper (7.9.26016): starting
11:11:18 (28684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001AC9D6F5420, 8 bytes long.
Data: < > 00 00 A9 9D AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AC9D6F6030, 1080 bytes long.
Data: <hz h > 68 7A 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
11:14:00 (28708): wrapper (7.9.26016): starting
11:14:00 (28708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000015E19125B50, 8 bytes long.
Data: < : ^ > 00 00 3A 19 5E 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000015E19126030, 1080 bytes long.
Data: < y d > AC 79 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:15:23 (13456): wrapper (7.9.26016): starting
11:15:23 (13456): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001F3368E5B00, 8 bytes long.
Data: < 6 > 00 00 BD 36 F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001F3368E6030, 1080 bytes long.
Data: < d d > 20 64 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:17:24 (22316): wrapper (7.9.26016): starting
11:17:24 (22316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001D55BF951F0, 8 bytes long.
Data: < \ > 00 00 15 5C D5 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D55BF96030, 1080 bytes long.
Data: <<y d > 3C 79 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:19:28 (27708): wrapper (7.9.26016): starting
11:19:28 (27708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001BBD0E456F0, 8 bytes long.
Data: < > 00 00 01 D1 BB 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001BBD0E46030, 1080 bytes long.
Data: <lp d > 6C 70 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:21:13 (26548): wrapper (7.9.26016): starting
11:21:13 (26548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000021661EF5A10, 8 bytes long.
Data: < a > 00 00 EA 61 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000021661EF6030, 1080 bytes long.
Data: < X d > CC 58 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
11:38:04 (8844): wrapper (7.9.26016): starting
11:38:04 (8844): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000149CB9E55B0, 8 bytes long.
Data: < I > 00 00 CC CB 49 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000149CB9E6030, 1080 bytes long.
Data: < s l > 90 73 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
Object dump complete.
11:58:04 (8204): wrapper (7.9.26016): starting
11:58:04 (8204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001A6EDF551A0, 8 bytes long.
Data: < > 00 00 1E EE A6 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A6EDF56030, 1080 bytes long.
Data: < A > AC 41 00 00 CD CD CD CD 94 00 00 00 00 00 00 00
Object dump complete.
12:38:05 (29932): wrapper (7.9.26016): starting
12:38:05 (29932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000200F6724FC0, 8 bytes long.
Data: < > 00 00 AD F6 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000200F6726030, 1080 bytes long.
Data: <<F h > 3C 46 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
12:40:59 (8464): wrapper (7.9.26016): starting
12:40:59 (8464): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001D1174656F0, 8 bytes long.
Data: < n > 00 00 6E 17 D1 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D117466030, 1080 bytes long.
Data: < l > CC 05 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
Object dump complete.
12:44:44 (25784): wrapper (7.9.26016): starting
12:44:44 (25784): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000023609665060, 8 bytes long.
Data: < 6 > 00 00 92 09 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023609666030, 1080 bytes long.
Data: < Y p > C0 59 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
Object dump complete.
13:17:44 (5952): wrapper (7.9.26016): starting
13:17:44 (5952): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000002B2220B5970, 8 bytes long.
Data: < ^" > 00 00 5E 22 B2 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002B2220B6030, 1080 bytes long.
Data: < H d > AC 48 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
13:58:30 (28888): wrapper (7.9.26016): starting
13:58:30 (28888): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000015EA44556A0, 8 bytes long.
Data: < u ^ > 00 00 75 A4 5E 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000015EA4456030, 1080 bytes long.
Data: < d > 9C 10 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
14:10:35 (3244): wrapper (7.9.26016): starting
14:10:35 (3244): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000264202C53D0, 8 bytes long.
Data: < ) d > 00 00 29 20 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000264202C6030, 1080 bytes long.
Data: < G D > A0 47 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
14:20:13 (3348): wrapper (7.9.26016): starting
14:20:13 (3348): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000205C6264CF0, 8 bytes long.
Data: < > 00 00 20 C6 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000205C6266030, 1080 bytes long.
Data: <xm > 78 6D 00 00 CD CD CD CD 90 00 00 00 00 00 00 00
Object dump complete.
14:21:37 (6904): wrapper (7.9.26016): starting
14:21:37 (6904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000018C3A405880, 8 bytes long.
Data: < f: > 00 00 66 3A 8C 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000018C3A406030, 1080 bytes long.
Data: < N d > C0 4E 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
14:32:51 (13208): wrapper (7.9.26016): starting
14:32:51 (13208): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001B7A89952E0, 8 bytes long.
Data: < > 00 00 DC A8 B7 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001B7A8996030, 1080 bytes long.
Data: < ` d > 98 60 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
14:50:32 (29708): wrapper (7.9.26016): starting
14:50:32 (29708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000022915E14C50, 8 bytes long.
Data: < ) > 00 00 10 16 29 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022915E16030, 1080 bytes long.
Data: < y > E4 79 00 00 CD CD CD CD A4 00 00 00 00 00 00 00
Object dump complete.
14:54:10 (28888): wrapper (7.9.26016): starting
14:54:10 (28888): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000175B7945150, 8 bytes long.
Data: < u > 00 00 CD B7 75 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000175B7946030, 1080 bytes long.
Data: <Pf d > 50 66 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
15:11:01 (27016): wrapper (7.9.26016): starting
15:11:01 (27016): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000002928C6559C0, 8 bytes long.
Data: < > 00 00 85 8C 92 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002928C656030, 1080 bytes long.
Data: < & d > D0 26 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
16:10:04 (19076): wrapper (7.9.26016): starting
16:10:04 (19076): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000214C02A5060, 8 bytes long.
Data: < K > 00 00 4B C0 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000214C02A6030, 1080 bytes long.
Data: < h d > DC 68 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
16:15:58 (31716): wrapper (7.9.26016): starting
16:15:58 (31716): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000020346B65BA0, 8 bytes long.
Data: < F > 00 00 B1 46 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020346B66030, 1080 bytes long.
Data: < \ p > F0 5C 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
Object dump complete.
16:18:29 (16816): wrapper (7.9.26016): starting
16:18:29 (16816): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "D:\BOINC\slots\8\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
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\slots\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
16:18:39 (16816): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
16:18:39 (16816): app exit status: 0x16
16:18:39 (16816): called boinc_finish(195)
0 bytes in 0 Free Blocks.
346 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 198457 bytes.
Dumping objects ->
{1927} normal block at 0x0000019EDD021590, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1916} normal block at 0x0000019EDD01F310, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1905} normal block at 0x0000019EDD01F130, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1894} normal block at 0x0000019EDD01EFB0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1883} normal block at 0x0000019EDD01F0D0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1852} normal block at 0x0000019EDD021130, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1841} normal block at 0x0000019EDD0208A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1838} normal block at 0x0000019EDD025B50, 8 bytes long.
Data: < L > 00 00 4C DD 9E 01 00 00
{1061} normal block at 0x0000019EDD0209D0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{302} normal block at 0x0000019EDD024F70, 8 bytes long.
Data: <0` > 30 60 02 DD 9E 01 00 00
{293} normal block at 0x0000019EDD0105B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000019EDD025880, 16 bytes long.
Data: <8_ > 38 5F 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019EDD025790, 16 bytes long.
Data: < _ > 10 5F 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019EDD01F550, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000019EDD024D90, 16 bytes long.
Data: < ^ > E8 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019EDD0252E0, 16 bytes long.
Data: < ^ > C0 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019EDD0256F0, 16 bytes long.
Data: < ^ > 98 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019EDD024F20, 16 bytes long.
Data: <p^ > 70 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019EDD021520, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000019EDD025650, 16 bytes long.
Data: <H > 48 05 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019EDD01ECB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000019EDD024E80, 16 bytes long.
Data: < > 20 05 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019EDD024D40, 16 bytes long.
Data: < > F8 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019EDD025010, 16 bytes long.
Data: < > D0 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019EDD025740, 16 bytes long.
Data: < > A8 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019EDD0254C0, 16 bytes long.
Data: < > 80 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019EDD0255B0, 16 bytes long.
Data: <X > 58 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019EDD01F250, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000019EDD025470, 16 bytes long.
Data: <0 > 30 04 01 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019EDD010430, 320 bytes long.
Data: <pT P > 70 54 02 DD 9E 01 00 00 50 F2 01 DD 9E 01 00 00
{272} normal block at 0x0000019EDD025A10, 16 bytes long.
Data: <P^ > 50 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019EDD0251F0, 16 bytes long.
Data: <(^ > 28 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019EDD01F010, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000019EDD0257E0, 16 bytes long.
Data: < ^ > 00 5E 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019EDD01EC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000019EDD0251A0, 16 bytes long.
Data: <H] > 48 5D 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019EDD024E30, 16 bytes long.
Data: < ] > 20 5D 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019EDD025B00, 16 bytes long.
Data: < \ > F8 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019EDD024DE0, 16 bytes long.
Data: < \ > D0 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019EDD025380, 16 bytes long.
Data: < \ > A8 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019EDD024CF0, 16 bytes long.
Data: < \ > 80 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019EDD025A60, 16 bytes long.
Data: < > A0 11 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019EDD0211A0, 40 bytes long.
Data: <`Z 0 > 60 5A 02 DD 9E 01 00 00 30 11 02 DD 9E 01 00 00
{258} normal block at 0x0000019EDD025420, 16 bytes long.
Data: <`\ > 60 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019EDD024ED0, 16 bytes long.
Data: <8\ > 38 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019EDD01F670, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000019EDD025330, 16 bytes long.
Data: < \ > 10 5C 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019EDD025C10, 992 bytes long.
Data: <0S p > 30 53 02 DD 9E 01 00 00 70 F6 01 DD 9E 01 00 00
{90} normal block at 0x0000019EDD01EE90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000019EDD019A40, 16 bytes long.
Data: < > 80 12 02 DD 9E 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019EDD021280, 40 bytes long.
Data: <@ > 40 9A 01 DD 9E 01 00 00 90 EE 01 DD 9E 01 00 00
{67} normal block at 0x0000019EDD0199F0, 16 bytes long.
Data: < > 80 EA C1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019EDD018FF0, 16 bytes long.
Data: <@ > 40 E9 C1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019EDD018F50, 16 bytes long.
Data: < W > F8 57 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019EDD019450, 16 bytes long.
Data: < W > D8 57 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019EDD0193B0, 16 bytes long.
Data: <P > 50 04 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019EDD0194F0, 16 bytes long.
Data: <0 > 30 04 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019EDD019A90, 16 bytes long.
Data: < > E0 02 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019EDD019310, 16 bytes long.
Data: < > 10 04 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019EDD0199A0, 16 bytes long.
Data: <p > 70 04 BE F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019EDD019950, 16 bytes long.
Data: < > 18 C0 BC F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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