Task 38639000
| Name | cdk8_A09_A03_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-5-6-RND3387_0 |
| Workunit | 31586659 |
| Created | 30 Apr 2026, 13:14:56 UTC |
| Sent | 30 Apr 2026, 13:15:05 UTC |
| Report deadline | 5 May 2026, 13:15:05 UTC |
| Received | 1 May 2026, 7:11:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643627 |
| Run time | 50 sec |
| CPU time | 38 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 83,076.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 1.05 GB |
| Peak swap size | 13.49 GB |
| Peak disk usage | 3.59 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run zS�.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:53:04 (59280): wrapper (7.9.26016): starting
12:53:04 (59280): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A03_0.pdb
QB_A09_A03_0.xml
QB_A09_A03.inpcrd
QB_A09_A03_input.yaml
QB_A09_A03.pdb
QB_A09_A03.prmtop
QB_A09_A03_sys.xml
run.bat
run.sh
12:53:06 (59280): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:53:06 (59280): 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\24\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\24\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) : {3835407} normal block at 0x000001C0B5B7DDE0, 8 bytes long.
Data: < > 00 00 17 B6 C0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001C0B5B6DC80, 1080 bytes long.
Data: < > 8C E9 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C0B5B71570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:20:59 (62524): wrapper (7.9.26016): starting
13:20:59 (62524): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000026E25926A90, 8 bytes long.
Data: < %n > 00 00 EA 25 6E 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000026E25927E20, 1080 bytes long.
Data: < > C4 EB 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
13:27:03 (63208): wrapper (7.9.26016): starting
13:27:03 (63208): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000155791D5F30, 8 bytes long.
Data: < yU > 00 00 16 79 55 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000155791D4AE0, 1080 bytes long.
Data: < > CC F4 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
14:20:59 (59988): wrapper (7.9.26016): starting
14:20:59 (59988): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000023C94DF68B0, 8 bytes long.
Data: < < > 00 00 D8 94 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000023C94DF7100, 1080 bytes long.
Data: < > D8 F7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:27:00 (28736): wrapper (7.9.26016): starting
14:27:00 (28736): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001BCDDD866E0, 8 bytes long.
Data: < > 00 00 CE DD BC 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001BCDDD84750, 1080 bytes long.
Data: < > 98 DE 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:21:00 (32208): wrapper (7.9.26016): starting
15:21:00 (32208): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000019DE09259D0, 8 bytes long.
Data: < > 00 00 E1 E0 9D 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000019DE0926D60, 1080 bytes long.
Data: <t > 74 FA 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:27:01 (9424): wrapper (7.9.26016): starting
15:27:01 (9424): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000014B8FF46810, 8 bytes long.
Data: < K > 00 00 EC 8F 4B 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000014B8FF44AB0, 1080 bytes long.
Data: <P > 50 F1 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
15:58:37 (22236): wrapper (7.9.26016): starting
15:58:37 (22236): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000012EE0626440, 8 bytes long.
Data: < X . > 00 00 58 E0 2E 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000012EE0627190, 1080 bytes long.
Data: <t > 74 E1 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:58:36 (63480): wrapper (7.9.26016): starting
16:58:36 (63480): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000021E89FA59C0, 8 bytes long.
Data: < > 00 00 F3 89 1E 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000021E89FA46B0, 1080 bytes long.
Data: < R > D4 52 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:04:37 (62764): wrapper (7.9.26016): starting
17:04:37 (62764): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000017EDFCE67A0, 8 bytes long.
Data: < ~ > 00 00 0D E0 7E 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000017EDFCE4720, 1080 bytes long.
Data: < > AC F7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:58:42 (63756): wrapper (7.9.26016): starting
17:58:42 (63756): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001F4FD946590, 8 bytes long.
Data: < > 00 00 D3 FD F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001F4FD947100, 1080 bytes long.
Data: << > 3C E7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:04:42 (63804): wrapper (7.9.26016): starting
18:04:42 (63804): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000222CEDC6B80, 8 bytes long.
Data: < " > 00 00 D9 CE 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000222CEDC4AB0, 1080 bytes long.
Data: <x > 78 D1 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:58:42 (55204): wrapper (7.9.26016): starting
18:58:42 (55204): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001DCF1126860, 8 bytes long.
Data: < S > 00 00 53 F1 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001DCF1124AB0, 1080 bytes long.
Data: < > D4 F6 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:04:42 (9980): wrapper (7.9.26016): starting
19:04:42 (9980): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001EAE6A08900, 8 bytes long.
Data: < > 00 00 98 E6 EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001EAE6A01EF0, 1080 bytes long.
Data: <(m > 28 6D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:58:42 (63604): wrapper (7.9.26016): starting
19:58:42 (63604): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000024C57366580, 8 bytes long.
Data: < WL > 00 00 9C 57 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000024C57367190, 1080 bytes long.
Data: < | > BC 7C 00 00 CD CD CD CD F4 00 00 00 00 00 00 00
Object dump complete.
20:04:43 (63944): wrapper (7.9.26016): starting
20:04:43 (63944): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000267B2506C00, 8 bytes long.
Data: < J g > 00 00 4A B2 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000267B2504B80, 1080 bytes long.
Data: < > D0 F5 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:58:43 (63280): wrapper (7.9.26016): starting
20:58:43 (63280): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001690D279150, 8 bytes long.
Data: < i > 00 00 8C 0D 69 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001690D27A1C0, 1080 bytes long.
Data: < > 94 FA 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:04:44 (60904): wrapper (7.9.26016): starting
21:04:44 (60904): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000021AEF506380, 8 bytes long.
Data: < I > 00 00 49 EF 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000021AEF506D60, 1080 bytes long.
Data: <D > 44 F4 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:58:46 (19032): wrapper (7.9.26016): starting
21:58:46 (19032): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000202C8C55F70, 8 bytes long.
Data: < > 00 00 1C C9 02 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000202C8C56D60, 1080 bytes long.
Data: < > D8 DE 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
22:04:47 (10360): wrapper (7.9.26016): starting
22:04:47 (10360): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000002148DFE68E0, 8 bytes long.
Data: < > 00 00 FB 8D 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000002148DFE4AE0, 1080 bytes long.
Data: <@ > 40 E4 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
22:58:46 (52124): wrapper (7.9.26016): starting
22:58:46 (52124): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000234C8056390, 8 bytes long.
Data: < l 4 > 00 00 6C C8 34 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000234C8054AE0, 1080 bytes long.
Data: < > B8 F7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
23:04:46 (59084): wrapper (7.9.26016): starting
23:04:46 (59084): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x0000022D1AB860C0, 8 bytes long.
Data: < - > 00 00 AF 1A 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000022D1AB84450, 1080 bytes long.
Data: < > AC F0 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
23:58:46 (63964): wrapper (7.9.26016): starting
23:58:46 (63964): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000264AD065ED0, 8 bytes long.
Data: < Q d > 00 00 51 AD 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000264AD064710, 1080 bytes long.
Data: < > A4 F4 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
00:04:47 (62828): wrapper (7.9.26016): starting
00:04:47 (62828): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000141EF5F6730, 8 bytes long.
Data: < Y A > 00 00 59 EF 41 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000141EF5F4BB0, 1080 bytes long.
Data: < > 0C F4 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
00:58:47 (64608): wrapper (7.9.26016): starting
00:58:47 (64608): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x00000267480A5F00, 8 bytes long.
Data: < Hg > 00 00 02 48 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000267480A4AB0, 1080 bytes long.
Data: < > 8C D4 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
01:04:48 (61008): wrapper (7.9.26016): starting
01:04:48 (61008): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001D31A0F6280, 8 bytes long.
Data: < P > 00 00 50 1A D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D31A0F4BB0, 1080 bytes long.
Data: << \ > 3C FD 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
01:58:46 (63420): wrapper (7.9.26016): starting
01:58:46 (63420): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1749} normal block at 0x000001E43E3965C0, 8 bytes long.
Data: < > > 00 00 9B 3E E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001E43E394AE0, 1080 bytes long.
Data: <h > 68 FC 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
02:04:47 (65548): wrapper (7.9.26016): starting
02:04:47 (65548): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\24\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\24\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
return _openmm.XmlSerializer__deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
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\24\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\24\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\24\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'
02:05:36 (65548): C:/Windows/system32/cmd.exe exited; CPU time 38.718750
02:05:36 (65548): app exit status: 0x16
02:05:36 (65548): 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: 887409 bytes.
Dumping objects ->
{1837} normal block at 0x00000139A1065100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1826} normal block at 0x00000139A10651E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1815} normal block at 0x00000139A10654F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1804} normal block at 0x00000139A1064FB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1793} normal block at 0x00000139A10656B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1762} normal block at 0x00000139A104CBF0, 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) : {1749} normal block at 0x00000139A10658B0, 8 bytes long.
Data: < B 9 > 00 00 42 A1 39 01 00 00
{309} normal block at 0x00000139A1065B30, 8 bytes long.
Data: <PI 9 > 50 49 06 A1 39 01 00 00
{300} normal block at 0x00000139A104F150, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000139A1065CC0, 16 bytes long.
Data: <Xp 9 > 58 70 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000139A1066210, 16 bytes long.
Data: <0p 9 > 30 70 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000139A1060720, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000139A1066490, 16 bytes long.
Data: < p 9 > 08 70 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000139A10663A0, 16 bytes long.
Data: < o 9 > E0 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000139A1066530, 16 bytes long.
Data: < o 9 > B8 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000139A1065B80, 16 bytes long.
Data: < o 9 > 90 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000139A1065640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000139A1065C70, 16 bytes long.
Data: < 1 9 > 88 31 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000139A105FC40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000139A1065C20, 16 bytes long.
Data: <`1 9 > 60 31 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000139A10659A0, 16 bytes long.
Data: <81 9 > 38 31 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000139A10665D0, 16 bytes long.
Data: < 1 9 > 10 31 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000139A1065950, 16 bytes long.
Data: < 0 9 > E8 30 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000139A1065A90, 16 bytes long.
Data: < 0 9 > C0 30 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000139A1065BD0, 16 bytes long.
Data: < 0 9 > 98 30 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000139A10608A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000139A1065F90, 16 bytes long.
Data: <p0 9 > 70 30 05 A1 39 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000139A1053070, 320 bytes long.
Data: < _ 9 9 > 90 5F 06 A1 39 01 00 00 A0 08 06 A1 39 01 00 00
{279} normal block at 0x00000139A1065810, 16 bytes long.
Data: <po 9 > 70 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000139A1065860, 16 bytes long.
Data: <Ho 9 > 48 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000139A105FD60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000139A1066580, 16 bytes long.
Data: < o 9 > 20 6F 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000139A105FBE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000139A10661C0, 16 bytes long.
Data: <hn 9 > 68 6E 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000139A1066350, 16 bytes long.
Data: <@n 9 > 40 6E 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000139A1065AE0, 16 bytes long.
Data: < n 9 > 18 6E 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000139A1066120, 16 bytes long.
Data: < m 9 > F0 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000139A10660D0, 16 bytes long.
Data: < m 9 > C8 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000139A10666C0, 16 bytes long.
Data: < m 9 > A0 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000139A1066080, 16 bytes long.
Data: < T 9 > 10 54 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000139A1065410, 40 bytes long.
Data: < ` 9 9 > 80 60 06 A1 39 01 00 00 F0 CB 04 A1 39 01 00 00
{265} normal block at 0x00000139A1066030, 16 bytes long.
Data: < m 9 > 80 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000139A10663F0, 16 bytes long.
Data: <Xm 9 > 58 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000139A10602A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000139A1065FE0, 16 bytes long.
Data: <0m 9 > 30 6D 06 A1 39 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000139A1066D30, 992 bytes long.
Data: < _ 9 9 > E0 5F 06 A1 39 01 00 00 A0 02 06 A1 39 01 00 00
{97} normal block at 0x00000139A1060120, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000139A105E010, 16 bytes long.
Data: < 9 > 80 CB 04 A1 39 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000139A104CB80, 40 bytes long.
Data: < 9 9 > 10 E0 05 A1 39 01 00 00 20 01 06 A1 39 01 00 00
{74} normal block at 0x00000139A105DFC0, 16 bytes long.
Data: < > 80 EA 9C 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000139A105DF20, 16 bytes long.
Data: <@ > 40 E9 9C 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000139A105D7F0, 16 bytes long.
Data: < W > F8 57 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000139A105DED0, 16 bytes long.
Data: < W > D8 57 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000139A105DF70, 16 bytes long.
Data: <P > 50 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000139A105D930, 16 bytes long.
Data: <0 > 30 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000139A105DB10, 16 bytes long.
Data: < > E0 02 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000139A105DB60, 16 bytes long.
Data: < > 10 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000139A105D6B0, 16 bytes long.
Data: <p > 70 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000139A105E560, 16 bytes long.
Data: < > 18 C0 97 0B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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