Task 38640425
| Name | tnks2_A07_A03_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-4-6-RND4588_0 |
| Workunit | 31587788 |
| Created | 1 May 2026, 13:51:04 UTC |
| Sent | 1 May 2026, 13:51:13 UTC |
| Report deadline | 6 May 2026, 13:51:13 UTC |
| Received | 3 May 2026, 6:47:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 194 (0x000000C2) EXIT_ABORTED_BY_CLIENT |
| Computer ID | 652266 |
| Run time | 5 hours 56 min 27 sec |
| CPU time | 5 hours 34 min 53 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,909.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 556.02 MB |
| Peak swap size | 8.14 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc2) - exit code 194 (0xc2)</message>
<stderr_txt>
10:20:42 (16488): wrapper (7.9.26016): starting
10:20:42 (16488): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A03_0.pdb
QB_A07_A03_0.xml
QB_A07_A03.inpcrd
QB_A07_A03_input.yaml
QB_A07_A03.pdb
QB_A07_A03.prmtop
QB_A07_A03_sys.xml
run.bat
run.sh
10:20:50 (16488): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:20:50 (16488): 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) : {3835401} normal block at 0x000001A36705EB00, 8 bytes long.
Data: < jg > 00 00 6A 67 A3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001A36704DA10, 1080 bytes long.
Data: < 6 X > 20 36 00 00 CD CD CD CD 58 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A367051050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:58:22 (19652): wrapper (7.9.26016): starting
13:58:22 (19652): 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) : {1745} normal block at 0x0000021100405F00, 8 bytes long.
Data: < > 00 00 DA 01 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000021100406E30, 1080 bytes long.
Data: <dN > 64 4E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:23:04 (10320): wrapper (7.9.26016): starting
19:23:04 (10320): 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) : {1745} normal block at 0x00000233E9545D20, 8 bytes long.
Data: < 3 > 00 00 A0 E9 33 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000233E9546E30, 1080 bytes long.
Data: < 7 > 88 37 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:27:12 (25332): wrapper (7.9.26016): starting
20:27:12 (25332): 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) : {1745} normal block at 0x0000015046036170, 8 bytes long.
Data: < EP > 00 00 FF 45 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000015046036E70, 1080 bytes long.
Data: < 6 > 14 36 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:25:25 (12808): wrapper (7.9.26016): starting
21:25:25 (12808): 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) : {1745} normal block at 0x000002E5B0076200, 8 bytes long.
Data: < > 00 00 B9 B1 E5 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002E5B0076AA0, 1080 bytes long.
Data: <41 > 34 31 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
21:29:34 (27224): wrapper (7.9.26016): starting
21:29:34 (27224): 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) : {1745} normal block at 0x000001E7EFF86770, 8 bytes long.
Data: < \ > 00 00 5C F0 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001E7EFF86E30, 1080 bytes long.
Data: < > A0 16 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
01:25:09 (28860): wrapper (7.9.26016): starting
01:25:09 (28860): 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) : {1745} normal block at 0x000001B792D460D0, 8 bytes long.
Data: < > 00 00 CF 92 B7 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001B792D46E20, 1080 bytes long.
Data: <0e > 30 65 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
02:06:59 (12696): wrapper (7.9.26016): starting
02:06:59 (12696): 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) : {1745} normal block at 0x00000251AB906540, 8 bytes long.
Data: < Q > 00 00 89 AB 51 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000251AB906E30, 1080 bytes long.
Data: < y > B4 79 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
02:26:47 (5116): wrapper (7.9.26016): starting
02:26:47 (5116): 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) : {1745} normal block at 0x0000019DEF1E6540, 8 bytes long.
Data: < > 00 00 87 EF 9D 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000019DEF1E6E30, 1080 bytes long.
Data: < T > A8 54 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:09:14 (12940): wrapper (7.9.26016): starting
03:09:14 (12940): 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) : {1745} normal block at 0x000001F42B7181D0, 8 bytes long.
Data: < + > 00 00 C4 2B F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001F42B718D40, 1080 bytes long.
Data: <<r > 3C 72 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:20:03 (29080): wrapper (7.9.26016): starting
03:20:03 (29080): 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) : {1745} normal block at 0x0000014C76705F50, 8 bytes long.
Data: < mvL > 00 00 6D 76 4C 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000014C76706E30, 1080 bytes long.
Data: <Lc > 4C 63 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
03:27:26 (3000): wrapper (7.9.26016): starting
03:27:26 (3000): 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) : {1745} normal block at 0x0000020BBE3E6360, 8 bytes long.
Data: < : > 00 00 3A BE 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000020BBE3E6E30, 1080 bytes long.
Data: < [ > B0 5B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:32:20 (20836): wrapper (7.9.26016): starting
03:32:20 (20836): 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) : {1745} normal block at 0x0000018DDDEC5B90, 8 bytes long.
Data: < ? > 00 00 3F DE 8D 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000018DDDEC6E30, 1080 bytes long.
Data: < r > A4 72 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
03:35:18 (14380): wrapper (7.9.26016): starting
03:35:18 (14380): 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) : {1745} normal block at 0x000001312F884D90, 8 bytes long.
Data: < /1 > 00 00 DB 2F 31 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001312F886320, 1080 bytes long.
Data: <tm > 74 6D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:39:43 (10104): wrapper (7.9.26016): starting
03:39:43 (10104): 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) : {1745} normal block at 0x00000179DE205AD0, 8 bytes long.
Data: < y > 00 00 19 DE 79 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000179DE206C30, 1080 bytes long.
Data: < | > A0 7C 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:42:47 (31560): wrapper (7.9.26016): starting
03:42:47 (31560): 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) : {1745} normal block at 0x0000015060CF6270, 8 bytes long.
Data: < bP > 00 00 84 62 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000015060CF6E30, 1080 bytes long.
Data: < } > 20 7D 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
03:49:52 (19936): wrapper (7.9.26016): starting
03:49:52 (19936): 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) : {1745} normal block at 0x000002B7A1815F00, 8 bytes long.
Data: < { > 00 00 7B A1 B7 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002B7A1816E30, 1080 bytes long.
Data: <81 > 38 31 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:53:12 (27756): wrapper (7.9.26016): starting
03:53:12 (27756): 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) : {1745} normal block at 0x00000230DB478850, 8 bytes long.
Data: < = 0 > 00 00 3D DB 30 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000230DB478D30, 1080 bytes long.
Data: < } > B0 7D 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
03:56:16 (27228): wrapper (7.9.26016): starting
03:56:16 (27228): 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) : {1745} normal block at 0x00000190FBE66090, 8 bytes long.
Data: < > 00 00 8D FD 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000190FBE64530, 1080 bytes long.
Data: < ~ > B0 7E 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
04:04:23 (7460): wrapper (7.9.26016): starting
04:04:23 (7460): 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) : {1745} normal block at 0x000001E127FF5C30, 8 bytes long.
Data: < ;( > 00 00 3B 28 E1 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001E127FF6E30, 1080 bytes long.
Data: <4+ > 34 2B 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
04:08:04 (27908): wrapper (7.9.26016): starting
04:08:04 (27908): 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) : {1745} normal block at 0x000001D4FA7C64F0, 8 bytes long.
Data: < w > 00 00 77 FA D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001D4FA7C6E30, 1080 bytes long.
Data: < > E0 0E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
04:12:41 (3012): wrapper (7.9.26016): starting
04:12:41 (3012): 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) : {1745} normal block at 0x000002DFA4796270, 8 bytes long.
Data: < > 00 00 E5 A4 DF 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002DFA4796E30, 1080 bytes long.
Data: < j > 88 6A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
04:21:29 (28172): wrapper (7.9.26016): starting
04:21:29 (28172): 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) : {1745} normal block at 0x0000028DCB325AA0, 8 bytes long.
Data: < > 00 00 82 CB 8D 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000028DCB326E30, 1080 bytes long.
Data: < ' > FC 27 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
05:46:10 (9048): wrapper (7.9.26016): starting
05:46:10 (9048): 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.
</stderr_txt>
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