Task 38627335
| Name | cdk8_A21_A18_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND3180_0 |
| Workunit | 31577330 |
| Created | 24 Apr 2026, 11:45:20 UTC |
| Sent | 24 Apr 2026, 11:55:03 UTC |
| Report deadline | 29 Apr 2026, 11:55:03 UTC |
| Received | 25 Apr 2026, 13:43:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 624261 |
| Run time | 1 min 23 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 14,842.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 912.05 MB |
| Peak swap size | 4.18 GB |
| Peak disk usage | 4.24 GB |
Stderr output
<core_client_version>7.16.11</core_client_version>
<![CDATA[
<message>
- exit code 1 (0x1)</message>
<stderr_txt>
19:55:38 (6584): wrapper (7.9.26016): starting
19:55:38 (6584): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A18_0.pdb
QB_A21_A18_0.xml
QB_A21_A18.inpcrd
QB_A21_A18_input.yaml
QB_A21_A18.pdb
QB_A21_A18.prmtop
QB_A21_A18_sys.xml
run.bat
run.sh
19:55:50 (6584): Library/usr/bin/tar.exe exited; CPU time 0.078125
19:55:50 (6584): 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\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 'C:\ProgramData\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) : {3835168} normal block at 0x000002A4801DACD0, 8 bytes long.
Data: < > 00 00 1B 80 A4 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000002A4801CC040, 1080 bytes long.
Data: < 6 > 94 36 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002A4801CEE10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:07:01 (16080): wrapper (7.9.26016): starting
20:07:01 (16080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000001F93E0BA820, 8 bytes long.
Data: < ? > 00 00 A9 3F F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000001F93FC574C0, 1080 bytes long.
Data: <x $ > 78 0F 00 00 CD CD CD CD 24 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F93E0AECD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:59:53 (11624): wrapper (7.9.26016): starting
20:59:53 (11624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000289F5CCA5F0, 8 bytes long.
Data: < r > 00 00 72 F7 89 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000289F5CD1B80, 1080 bytes long.
Data: <X+ > 58 2B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000289F5CBF590, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:14:02 (13332): wrapper (7.9.26016): starting
21:14:02 (13332): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000002AB189BB360, 8 bytes long.
Data: < > 00 00 99 18 AB 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000002AB189AC040, 1080 bytes long.
Data: <@ t > 40 08 00 00 CD CD CD CD 74 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002AB189AF310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:46:53 (856): wrapper (7.9.26016): starting
21:46:53 (856): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000255CE8AADD0, 8 bytes long.
Data: < U > 00 00 88 CE 55 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000255CE89C040, 1080 bytes long.
Data: <8 > 38 1E 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000255CE8B69C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:58:00 (8912): wrapper (7.9.26016): starting
21:58:00 (8912): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000259C97AA6C0, 8 bytes long.
Data: < w Y > 00 00 77 C9 59 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000259CB2972B0, 1080 bytes long.
Data: < ( 4 > 8C 28 00 00 CD CD CD CD 34 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000259C979EF20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:10:34 (10728): wrapper (7.9.26016): starting
22:10:34 (10728): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000002048B69A9B0, 8 bytes long.
Data: < > 00 00 FF 8C 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000002048B68C040, 1080 bytes long.
Data: < % > F4 25 00 00 CD CD CD CD B8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002048B68F090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:19:08 (3444): wrapper (7.9.26016): starting
22:19:08 (3444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000001947C32A740, 8 bytes long.
Data: < ~ > 00 00 08 7E 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000001947DE7E490, 1080 bytes long.
Data: <H% ` > 48 25 00 00 CD CD CD CD 60 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001947C335340, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:23:26 (9336): wrapper (7.9.26016): starting
22:23:26 (9336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000168E236AF60, 8 bytes long.
Data: < h > 00 00 CF E3 68 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000168E3F15B90, 1080 bytes long.
Data: <T > 54 0A 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000168E235FAA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:34:58 (10416): wrapper (7.9.26016): starting
22:34:58 (10416): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000002092508A640, 8 bytes long.
Data: < & > 00 00 D3 26 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000020925091B80, 1080 bytes long.
Data: < 5 > C8 35 00 00 CD CD CD CD C8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002092507F1D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:53:23 (9728): wrapper (7.9.26016): starting
22:53:23 (9728): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000002EE7C33A6A0, 8 bytes long.
Data: < } > 00 00 D4 7D EE 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000002EE7C38E380, 1080 bytes long.
Data: <\$ > 5C 24 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002EE7C32FAA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:14:47 (14856): wrapper (7.9.26016): starting
23:14:47 (14856): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000205161DB9F0, 8 bytes long.
Data: < > 00 00 1B 16 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000020517D0A880, 1080 bytes long.
Data: < > EC 13 00 00 CD CD CD CD 20 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000205161CFF80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:27:17 (10516): wrapper (7.9.26016): starting
23:27:17 (10516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000268F6ABB220, 8 bytes long.
Data: < h > 00 00 A8 F6 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000268F6AAC040, 1080 bytes long.
Data: < 5 > C0 35 00 00 CD CD CD CD A4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000268F6AAECD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:36:17 (15376): wrapper (7.9.26016): starting
00:36:17 (15376): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000001A011F9AB40, 8 bytes long.
Data: < > 00 00 99 13 A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000001A011F8C040, 1080 bytes long.
Data: <\7 @ > 5C 37 00 00 CD CD CD CD 40 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A011F8EE10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:27:43 (13044): wrapper (7.9.26016): starting
01:27:43 (13044): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000222BF54A640, 8 bytes long.
Data: < " > 00 00 EF C0 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000222BF53C040, 1080 bytes long.
Data: <P< > 50 3C 00 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000222BF53F090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:58:34 (9152): wrapper (7.9.26016): starting
01:58:34 (9152): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x00000200E9EDB4A0, 8 bytes long.
Data: < > 00 00 99 EB 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000200E9EE1B80, 1080 bytes long.
Data: < > F4 1C 00 00 CD CD CD CD 88 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000200E9ECF6D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:17:07 (6420): wrapper (7.9.26016): starting
04:17:07 (6420): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849851} normal block at 0x000002594272AF40, 8 bytes long.
Data: < oBY > 00 00 6F 42 59 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000025942731C80, 1080 bytes long.
Data: < > 88 03 00 00 CD CD CD CD B8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002594271EC70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:26:13 (4196): wrapper (7.9.26016): starting
05:26:13 (4196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\8\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
</stderr_txt>
]]>
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