Task 38617897
| Name | hif2a_2_A30_A21_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-2-6-RND7325_0 |
| Workunit | 31569474 |
| Created | 18 Apr 2026, 8:17:51 UTC |
| Sent | 18 Apr 2026, 8:18:05 UTC |
| Report deadline | 23 Apr 2026, 8:18:05 UTC |
| Received | 18 Apr 2026, 17:01:43 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 1 (0x00000001) Unknown error code |
| Computer ID | 585998 |
| Run time | 43 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,077.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 415.98 MB |
| Peak swap size | 6.46 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Unzul�ssige Funktion.
(0x1) - exit code 1 (0x1)</message>
<stderr_txt>
16:42:13 (4172): wrapper (7.9.26016): starting
16:42:13 (4172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A21_0.pdb
QB_A30_A21_0.xml
QB_A30_A21.inpcrd
QB_A30_A21_input.yaml
QB_A30_A21.pdb
QB_A30_A21.prmtop
QB_A30_A21_sys.xml
run.bat
run.sh
16:42:14 (4172): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:42:14 (4172): 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\1\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\1\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) : {3835217} normal block at 0x0000027ED167E880, 8 bytes long.
Data: < ~ > 00 00 A7 D1 7E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000027ED166DD60, 1080 bytes long.
Data: <|` > 7C 60 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027ED1671650, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:49:54 (4060): wrapper (7.9.26016): starting
16:49:54 (4060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001D2EC2BE970, 8 bytes long.
Data: < [ > 00 00 5B EC D2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001D2EC2ADD60, 1080 bytes long.
Data: < M > CC 4D 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D2EC2B1B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:51:50 (15772): wrapper (7.9.26016): starting
16:51:50 (15772): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001E28A7BE3A0, 8 bytes long.
Data: < > 00 00 B5 8A E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001E28A7C5C60, 1080 bytes long.
Data: <la > 6C 61 00 00 CD CD CD CD 84 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E28A7B1520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:53:36 (27072): wrapper (7.9.26016): starting
16:53:36 (27072): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x0000023C2B96E700, 8 bytes long.
Data: < <-< > 00 00 3C 2D 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000023C2B975C40, 1080 bytes long.
Data: < > B8 1C 00 00 CD CD CD CD 18 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023C2B960ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:58:08 (10352): wrapper (7.9.26016): starting
16:58:08 (10352): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x0000025CA243E0B0, 8 bytes long.
Data: < { \ > 00 00 7B A2 5C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000025CA242DD60, 1080 bytes long.
Data: < L > 14 12 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025CA24318D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:59:58 (22944): wrapper (7.9.26016): starting
16:59:58 (22944): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001D8CB63E060, 8 bytes long.
Data: < a > 00 00 61 CB D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001D8CB62DD60, 1080 bytes long.
Data: <h@ X > 68 40 00 00 CD CD CD CD 58 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D8CB631290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:01:55 (3932): wrapper (7.9.26016): starting
17:01:55 (3932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000002A87159E1B0, 8 bytes long.
Data: < q > 00 00 A4 71 A8 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000002A8715A5C40, 1080 bytes long.
Data: <(j > 28 6A 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002A871591150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:07:30 (28152): wrapper (7.9.26016): starting
17:07:30 (28152): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001C12E32DB80, 8 bytes long.
Data: < ). > 00 00 29 2E C1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001C12E31DD60, 1080 bytes long.
Data: < 3 > FC 33 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C12E320EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:11:06 (4972): wrapper (7.9.26016): starting
17:11:06 (4972): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849899} normal block at 0x0000027F7C21DCF0, 8 bytes long.
Data: < X| > 00 00 58 7C 7F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848650} normal block at 0x0000027F7C20DD60, 1080 bytes long.
Data: < T , > 10 54 00 00 CD CD CD CD 2C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027F7C211150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:16:17 (8128): wrapper (7.9.26016): starting
17:16:17 (8128): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001EE8388E150, 8 bytes long.
Data: < > 00 00 D4 83 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001EE8387DD60, 1080 bytes long.
Data: <<5 > 3C 35 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EE83881010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:29:14 (29584): wrapper (7.9.26016): starting
17:29:14 (29584): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000002C17CD7DA00, 8 bytes long.
Data: < | > 00 00 D2 7C C1 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000002C17CD6DD60, 1080 bytes long.
Data: <PC > 50 43 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002C17CD714F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:30:58 (7508): wrapper (7.9.26016): starting
17:30:58 (7508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001F4CD2EE2E0, 8 bytes long.
Data: < v > 00 00 76 CD F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001F4CD2DDD60, 1080 bytes long.
Data: < J > DC 4A 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F4CD2E1510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:37:03 (6804): wrapper (7.9.26016): starting
17:37:03 (6804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001FB070DDF70, 8 bytes long.
Data: < F > 00 00 46 07 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001FB070CDD60, 1080 bytes long.
Data: <|N > 7C 4E 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001FB070D1C90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:38:46 (26796): wrapper (7.9.26016): starting
17:38:46 (26796): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x0000023B01E2DFC0, 8 bytes long.
Data: < 7 ; > 00 00 37 02 3B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000023B01E1DD60, 1080 bytes long.
Data: <<U ` > 3C 55 00 00 CD CD CD CD 60 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023B01E21790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:43:15 (28412): wrapper (7.9.26016): starting
17:43:15 (28412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x00000216230FE600, 8 bytes long.
Data: < e# > 00 00 65 23 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x00000216230EDD60, 1080 bytes long.
Data: <8 h > 38 19 00 00 CD CD CD CD 68 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000216230F1010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:46:45 (488): wrapper (7.9.26016): starting
17:46:45 (488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
</stderr_txt>
]]>
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