Task 38584166
| Name | JNK1_A21_A33_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND4624_1 |
| Workunit | 31545200 |
| Created | 16 Dec 2025, 14:29:53 UTC |
| Sent | 16 Dec 2025, 14:30:02 UTC |
| Report deadline | 21 Dec 2025, 14:30:02 UTC |
| Received | 17 Dec 2025, 0:51:12 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643718 |
| Run time | 4 hours 51 min 9 sec |
| CPU time | 4 hours 35 min 20 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 43,950.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.55 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.04 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:34:22 (35216): wrapper (7.9.26016): starting
09:34:22 (35216): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A33_0.pdb
QB_A21_A33_0.xml
QB_A21_A33_equil.pdb
QB_A21_A33.inpcrd
QB_A21_A33_input.yaml
QB_A21_A33_mdlambda.pdb
QB_A21_A33_min.pdb
QB_A21_A33_npt.pdb
QB_A21_A33_out_merged_nowater.pdb
QB_A21_A33.pdb
QB_A21_A33.prmtop
QB_A21_A33_sys.xml
QB_A21_A33_therm.pdb
run.bat
run.sh
09:34:23 (35216): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:34:23 (35216): 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\0\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\0\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) : {3835155} normal block at 0x00000219F05BD830, 8 bytes long.
Data: < Y > 00 00 59 F0 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x00000219F05AD4A0, 1080 bytes long.
Data: <t > 74 0C 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000219F05B1010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:44:53 (24844): wrapper (7.9.26016): starting
10:44:53 (24844): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000014D9B425AF0, 8 bytes long.
Data: < M > 00 00 8E 9B 4D 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000014D9B4263E0, 1080 bytes long.
Data: <@ > 40 99 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:50:01 (39888): wrapper (7.9.26016): starting
10:50:01 (39888): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000180883B5760, 8 bytes long.
Data: < > 00 00 A1 88 80 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000180883B6370, 1080 bytes long.
Data: <ti > 74 69 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
10:58:57 (36956): wrapper (7.9.26016): starting
10:58:57 (36956): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000023022B652D0, 8 bytes long.
Data: < "0 > 00 00 AD 22 30 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023022B663E0, 1080 bytes long.
Data: < > 14 9D 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
11:04:05 (20916): wrapper (7.9.26016): starting
11:04:05 (20916): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000179C5F55EB0, 8 bytes long.
Data: < T y > 00 00 54 C6 79 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000179C5F563E0, 1080 bytes long.
Data: < { > BC 7B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
11:29:54 (37784): wrapper (7.9.26016): starting
11:29:54 (37784): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001EEC0365F00, 8 bytes long.
Data: < > 00 00 80 C0 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001EEC03663E0, 1080 bytes long.
Data: < T > EC 54 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
11:35:08 (27584): wrapper (7.9.26016): starting
11:35:08 (27584): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000002104F355C00, 8 bytes long.
Data: < 1O > 00 00 31 4F 10 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002104F3560E0, 1080 bytes long.
Data: < \ > 08 A2 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
12:03:53 (27892): wrapper (7.9.26016): starting
12:03:53 (27892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000014D8D275A50, 8 bytes long.
Data: < g M > 00 00 67 8D 4D 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000014D8D276340, 1080 bytes long.
Data: <H` > 48 60 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
12:09:24 (29332): wrapper (7.9.26016): starting
12:09:24 (29332): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000193A26A6250, 8 bytes long.
Data: < > 00 00 AC A2 93 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000193A26A6E30, 1080 bytes long.
Data: < > 00 99 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
12:14:33 (23752): wrapper (7.9.26016): starting
12:14:33 (23752): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000015A905355A0, 8 bytes long.
Data: < M Z > 00 00 4D 90 5A 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000015A905363E0, 1080 bytes long.
Data: < c > 80 63 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
12:20:21 (15352): wrapper (7.9.26016): starting
12:20:21 (15352): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000173D5847680, 8 bytes long.
Data: < s > 00 00 80 D5 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000173D5847C50, 1080 bytes long.
Data: < A > EC 41 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
12:25:35 (36156): wrapper (7.9.26016): starting
12:25:35 (36156): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001DBE6085D80, 8 bytes long.
Data: < Q > 00 00 51 E6 DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001DBE60863A0, 1080 bytes long.
Data: <x > 78 05 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
12:39:36 (6568): wrapper (7.9.26016): starting
12:39:36 (6568): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001713D0B5320, 8 bytes long.
Data: < M=q > 00 00 4D 3D 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001713D0B63E0, 1080 bytes long.
Data: < ` > F8 60 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
12:44:44 (8716): wrapper (7.9.26016): starting
12:44:44 (8716): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001EDCFCF5B30, 8 bytes long.
Data: < . > 00 00 2E D0 ED 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001EDCFCF6380, 1080 bytes long.
Data: < > 00 09 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
12:54:33 (35976): wrapper (7.9.26016): starting
12:54:33 (35976): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000290FA255910, 8 bytes long.
Data: < w > 00 00 77 FA 90 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000290FA2563E0, 1080 bytes long.
Data: <HH > 48 48 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
12:59:47 (21072): wrapper (7.9.26016): starting
12:59:47 (21072): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000220C6D35DF0, 8 bytes long.
Data: < > 00 00 1E C7 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000220C6D36370, 1080 bytes long.
Data: < > 0C 9C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:32:54 (37356): wrapper (7.9.26016): starting
13:32:54 (37356): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001CEF90A5880, 8 bytes long.
Data: < > 00 00 04 F9 CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001CEF90A63A0, 1080 bytes long.
Data: < \ \ > 98 5C 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
13:38:03 (41216): wrapper (7.9.26016): starting
13:38:03 (41216): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000021CFE0851E0, 8 bytes long.
Data: < > 00 00 00 FE 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000021CFE086590, 1080 bytes long.
Data: < ; > 84 3B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:43:32 (34288): wrapper (7.9.26016): starting
13:43:32 (34288): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000212EF5B4AE0, 8 bytes long.
Data: < > 00 00 9A EF 12 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000212EF5B6400, 1080 bytes long.
Data: <dX > 64 58 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:48:40 (24196): wrapper (7.9.26016): starting
13:48:40 (24196): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000187F80C68D0, 8 bytes long.
Data: < g > 00 00 67 F8 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000187F80C7140, 1080 bytes long.
Data: < > D8 92 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:55:24 (10960): wrapper (7.9.26016): starting
14:55:24 (10960): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001FAD18855D0, 8 bytes long.
Data: < > 00 00 D6 D1 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001FAD1886370, 1080 bytes long.
Data: < > D0 13 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:41:50 (40828): wrapper (7.9.26016): starting
16:41:50 (40828): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001D85EE355A0, 8 bytes long.
Data: < ._ > 00 00 2E 5F D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D85EE363E0, 1080 bytes long.
Data: < > F8 9B 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
18:13:49 (42380): wrapper (7.9.26016): starting
18:13:49 (42380): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000233D70A5220, 8 bytes long.
Data: < 3 > 00 00 B1 D8 33 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000233D70A6380, 1080 bytes long.
Data: < ? > C4 3F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
18:18:57 (12008): wrapper (7.9.26016): starting
18:18:57 (12008): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x00000260ED3757C0, 8 bytes long.
Data: < ` > 00 00 95 ED 60 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000260ED376380, 1080 bytes long.
Data: <P( > 50 28 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
18:43:21 (9484): wrapper (7.9.26016): starting
18:43:21 (9484): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000019A8F0E5370, 8 bytes long.
Data: < > 00 00 07 8F 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019A8F0E63E0, 1080 bytes long.
Data: <( > 28 86 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:48:35 (41752): wrapper (7.9.26016): starting
18:48:35 (41752): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1504} normal block at 0x000001A78DF755F0, 8 bytes long.
Data: < D > 00 00 44 8E A7 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A78DF763E0, 1080 bytes long.
Data: <, > 2C 83 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:49:36 (17308): wrapper (7.9.26016): starting
19:49:36 (17308): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\0\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\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'
19:49:50 (17308): C:/Windows/system32/cmd.exe exited; CPU time 9.859375
19:49:50 (17308): app exit status: 0x16
19:49:50 (17308): called boinc_finish(195)
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: 331796 bytes.
Dumping objects ->
{1592} normal block at 0x000001A4A57D4850, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x000001A4A57D4690, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000001A4A57D4620, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1559} normal block at 0x000001A4A57D47E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x000001A4A57D4770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1517} normal block at 0x000001A4A57BB2C0, 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) : {1504} normal block at 0x000001A4A57D5D20, 8 bytes long.
Data: < % > 00 00 25 A7 A4 01 00 00
{302} normal block at 0x000001A4A57D5DC0, 8 bytes long.
Data: < e} > 90 65 7D A5 A4 01 00 00
{293} normal block at 0x000001A4A57C2220, 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 0x000001A4A57D5C30, 16 bytes long.
Data: < d} > 98 64 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A4A57D5B90, 16 bytes long.
Data: <pd} > 70 64 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A4A57D0810, 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 0x000001A4A57D5D70, 16 bytes long.
Data: <Hd} > 48 64 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A4A57D5B40, 16 bytes long.
Data: < d} > 20 64 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A4A57D5AF0, 16 bytes long.
Data: < c} > F8 63 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A4A57D5A00, 16 bytes long.
Data: < c} > D0 63 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A4A57D4700, 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 0x000001A4A57D5AA0, 16 bytes long.
Data: <X { > 58 B2 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A4A57D1110, 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 0x000001A4A57D5140, 16 bytes long.
Data: <0 { > 30 B2 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A4A57D5320, 16 bytes long.
Data: < { > 08 B2 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A4A57D50A0, 16 bytes long.
Data: < { > E0 B1 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A4A57D5500, 16 bytes long.
Data: < { > B8 B1 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A4A57D5230, 16 bytes long.
Data: < { > 90 B1 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A4A57D5050, 16 bytes long.
Data: <h { > 68 B1 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A4A57D0870, 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 0x000001A4A57D52D0, 16 bytes long.
Data: <@ { > 40 B1 7B A5 A4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A4A57BB140, 320 bytes long.
Data: < R} p } > D0 52 7D A5 A4 01 00 00 70 08 7D A5 A4 01 00 00
{272} normal block at 0x000001A4A57D5F00, 16 bytes long.
Data: < c} > B0 63 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A4A57D5CD0, 16 bytes long.
Data: < c} > 88 63 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A4A57D12F0, 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 0x000001A4A57D5000, 16 bytes long.
Data: <`c} > 60 63 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A4A57D10B0, 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 0x000001A4A57D51E0, 16 bytes long.
Data: < b} > A8 62 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A4A57D5460, 16 bytes long.
Data: < b} > 80 62 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A4A57D5C80, 16 bytes long.
Data: <Xb} > 58 62 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A4A57D5BE0, 16 bytes long.
Data: <0b} > 30 62 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A4A57D5280, 16 bytes long.
Data: < b} > 08 62 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A4A57D5960, 16 bytes long.
Data: < a} > E0 61 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A4A57D5A50, 16 bytes long.
Data: < C} > F0 43 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A4A57D43F0, 40 bytes long.
Data: <PZ} { > 50 5A 7D A5 A4 01 00 00 C0 B2 7B A5 A4 01 00 00
{258} normal block at 0x000001A4A57D59B0, 16 bytes long.
Data: < a} > C0 61 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A4A57D56E0, 16 bytes long.
Data: < a} > 98 61 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A4A57D0990, 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 0x000001A4A57D55F0, 16 bytes long.
Data: <pa} > 70 61 7D A5 A4 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001A4A57D6170, 992 bytes long.
Data: < U} } > F0 55 7D A5 A4 01 00 00 90 09 7D A5 A4 01 00 00
{90} normal block at 0x000001A4A57D1050, 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 0x000001A4A57CD920, 16 bytes long.
Data: <` | > 60 05 7C A5 A4 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001A4A57C0560, 40 bytes long.
Data: < | P } > 20 D9 7C A5 A4 01 00 00 50 10 7D A5 A4 01 00 00
{67} normal block at 0x000001A4A57CD830, 16 bytes long.
Data: < L > 80 EA 11 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A4A57CDB00, 16 bytes long.
Data: <@ L > 40 E9 11 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A4A57CCF70, 16 bytes long.
Data: < W L > F8 57 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A4A57CD9C0, 16 bytes long.
Data: < W L > D8 57 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A4A57CD420, 16 bytes long.
Data: <P L > 50 04 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A4A57CD330, 16 bytes long.
Data: <0 L > 30 04 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A4A57CDBA0, 16 bytes long.
Data: < L > E0 02 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A4A57CD010, 16 bytes long.
Data: < L > 10 04 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A4A57CCE30, 16 bytes long.
Data: <p L > 70 04 0E 4C F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A4A57CD560, 16 bytes long.
Data: < L > 18 C0 0C 4C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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