Task 38608516

Name	hif2a_A35_A24_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND5701_6
Workunit	31561439
Created	14 Apr 2026, 16:43:33 UTC
Sent	14 Apr 2026, 16:43:41 UTC
Report deadline	19 Apr 2026, 16:43:41 UTC
Received	18 Apr 2026, 8:13:29 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	1 (0x00000001) Unknown error code
Computer ID	585998
Run time	2 min 7 sec
CPU time	3 sec
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	405.13 MB
Peak swap size	6.47 GB
Peak disk usage	4.20 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>
15:00:30 (26564): wrapper (7.9.26016): starting
15:00:30 (26564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A35_A24_0.pdb
QB_A35_A24_0.xml
QB_A35_A24.inpcrd
QB_A35_A24_input.yaml
QB_A35_A24.pdb
QB_A35_A24.prmtop
QB_A35_A24_sys.xml
run.bat
run.sh
15:00:31 (26564): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:00:31 (26564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3847112} normal block at 0x00000217D184DA70, 8 bytes long.
 Data: <        > 00 00 82 D1 17 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3845863} normal block at 0x00000217D183DD60, 1080 bytes long.
 Data: < $              > 90 24 00 00 CD CD CD CD F4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000217D1841C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:03:49 (19292): wrapper (7.9.26016): starting
15:03:49 (19292): 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\15\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\15\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) : {3849899} normal block at 0x000001D6D73AEC30, 8 bytes long.
 Data: <  6     > 00 00 36 D7 D6 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848650} normal block at 0x000001D6D9066670, 1080 bytes long.
 Data: <8Y      l       > 38 59 00 00 CD CD CD CD 6C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D6D73A1A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:14:06 (32640): wrapper (7.9.26016): starting
19:14:06 (32640): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x0000020FE5FCDA20, 8 bytes long.
 Data: <  7     > 00 00 37 E6 0F 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000020FE5FBDD60, 1080 bytes long.
 Data: < o              > D8 6F 00 00 CD CD CD CD D8 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020FE5FC1150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:15:44 (15988): wrapper (7.9.26016): starting
19:15:44 (15988): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001A10396E1A0, 8 bytes long.
 Data: <        > 00 00 94 03 A1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001A10395DD60, 1080 bytes long.
 Data: <x_              > 78 5F 00 00 CD CD CD CD 20 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A103961150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:30:06 (28880): wrapper (7.9.26016): starting
19:30:06 (28880): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000001C46F01DCF0, 8 bytes long.
 Data: <  9o    > 00 00 39 6F C4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001C46F00DD60, 1080 bytes long.
 Data: < 8      D       > DC 38 00 00 CD CD CD CD 44 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C46F011B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:31:47 (31892): wrapper (7.9.26016): starting
19:31:47 (31892): 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\15\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 0x000001DECF1BDAC0, 8 bytes long.
 Data: <        > 00 00 17 CF DE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001DECF1ADD60, 1080 bytes long.
 Data: < x              > BC 78 00 00 CD CD CD CD 18 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001DECF1B1650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:47:46 (26644): wrapper (7.9.26016): starting
19:47:46 (26644): 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\15\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 0x00000187F66EE380, 8 bytes long.
 Data: <  j     > 00 00 6A F6 87 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x00000187F66DDD60, 1080 bytes long.
 Data: <hj              > 68 6A 00 00 CD CD CD CD C4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000187F66E1650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:53:19 (8132): wrapper (7.9.26016): starting
19:53:19 (8132): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x000002792B1EDC50, 8 bytes long.
 Data: <   +y   > 00 00 84 2B 79 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000002792B1DDD60, 1080 bytes long.
 Data: < _              > 00 5F 00 00 CD CD CD CD 90 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002792B1E1510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
20:01:13 (1200): wrapper (7.9.26016): starting
20:01:13 (1200): 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\15\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 0x000001F1177AE880, 8 bytes long.
 Data: <        > 00 00 BF 17 F1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001F11779DD60, 1080 bytes long.
 Data: <        0       > 04 0E 00 00 CD CD CD CD 30 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F1177A1790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
20:14:06 (14776): wrapper (7.9.26016): starting
20:14:06 (14776): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x0000017C27C3EF30, 8 bytes long.
 Data: <   (|   > 00 00 15 28 7C 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000017C29A16730, 1080 bytes long.
 Data: < ~              > D4 7E 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017C27C31F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
20:19:17 (28360): wrapper (7.9.26016): starting
20:19:17 (28360): 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\15\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 0x000002C491DADFC0, 8 bytes long.
 Data: <        > 00 00 D7 91 C4 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000002C491D9DD60, 1080 bytes long.
 Data: < ]              > F4 5D 00 00 CD CD CD CD F8 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002C491DA18D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:19:12 (34516): wrapper (7.9.26016): starting
21:19:12 (34516): 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\15\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 0x0000018EBFE5E6F0, 8 bytes long.
 Data: <  $     > 00 00 24 C0 8E 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848650} normal block at 0x0000018EBFE4DD60, 1080 bytes long.
 Data: <\j              > 5C 6A 00 00 CD CD CD CD D4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018EBFE51A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
07:42:58 (10104): wrapper (7.9.26016): starting
07:42:58 (10104): 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\15\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 0x0000014FA56FDDE0, 8 bytes long.
 Data: <    O   > 00 00 B1 A5 4F 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000014FA56EDD60, 1080 bytes long.
 Data: <pf              > 70 66 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000014FA56F1650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
07:48:31 (34876): wrapper (7.9.26016): starting
07:48:31 (34876): 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\15\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849900} normal block at 0x00000229D61EE150, 8 bytes long.
 Data: <  h )   > 00 00 68 D6 29 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x00000229D61DDD60, 1080 bytes long.
 Data: <t               > 74 18 00 00 CD CD CD CD C4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000229D61E1A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:25:03 (34124): wrapper (7.9.26016): starting
08:25:03 (34124): 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\15\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 0x00000199E31AE300, 8 bytes long.
 Data: <  e     > 00 00 65 E3 99 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x00000199E4F9DFD0, 1080 bytes long.
 Data: <p               > 70 83 00 00 CD CD CD CD F4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000199E31A0C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:49:07 (24252): wrapper (7.9.26016): starting
09:49:07 (24252): 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\15\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 0x0000018F2A47DCF0, 8 bytes long.
 Data: <  C*    > 00 00 43 2A 8F 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000018F2A46DD60, 1080 bytes long.
 Data: <(               > 28 84 00 00 CD CD CD CD B4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018F2A471A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:08:36 (26324): wrapper (7.9.26016): starting
10:08:36 (26324): 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\15\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.

</stderr_txt>
]]>