Task 38600697

Name	JNK1_A13_A06_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1-1-6-RND3084_0
Workunit	31555374
Created	9 Apr 2026, 6:09:01 UTC
Sent	9 Apr 2026, 6:09:12 UTC
Report deadline	14 Apr 2026, 6:09:12 UTC
Received	10 Apr 2026, 10:12:16 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	641444
Run time	2 hours 58 min 2 sec
CPU time	2 hours 41 min 52 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,506.13 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	701.80 MB
Peak swap size	5.40 GB
Peak disk usage	3.06 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
01:34:27 (33036): wrapper (7.9.26016): starting
01:34:27 (33036): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A06_0.pdb
QB_A13_A06_0.xml
QB_A13_A06.inpcrd
QB_A13_A06_input.yaml
QB_A13_A06.pdb
QB_A13_A06.prmtop
QB_A13_A06_sys.xml
run.bat
run.sh
01:34:30 (33036): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:34:30 (33036): 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 'D:\Boinc\slots\13\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 'D:\Boinc\slots\13\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.
11:41:06 (21416): wrapper (7.9.26016): starting
11:41:06 (21416): 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 "D:\Boinc\slots\13\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1753} normal block at 0x0000026124D4B2E0, 8 bytes long.
 Data: <   %a   > 00 00 20 25 61 02 00 00 
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000026124D44730, 1080 bytes long.
 Data: <<K              > 3C 4B 00 00 CD CD CD CD D4 01 00 00 00 00 00 00 
Object dump complete.
11:46:04 (21376): wrapper (7.9.26016): starting
11:46:04 (21376): 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 "D:\Boinc\slots\13\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
12:10:27 (21376): C:/Windows/system32/cmd.exe exited; CPU time 1382.656250
12:10:27 (21376): app exit status: 0x16
12:10:27 (21376): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 29036429 bytes.
Dumping objects ->
{1841} normal block at 0x0000015320430F30, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{1830} normal block at 0x000001532042F310, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{1819} normal block at 0x000001532042F9D0, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{1808} normal block at 0x000001532042FC10, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{1797} normal block at 0x000001532042FC70, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{1766} normal block at 0x0000015320430FA0, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {1753} normal block at 0x0000015320436100, 8 bytes long.
 Data: <   !S   > 00 00 D5 21 53 01 00 00 
{309} normal block at 0x0000015320435430, 8 bytes long.
 Data: < gC S   > C0 67 43 20 53 01 00 00 
{300} normal block at 0x000001532041ED10, 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 0x0000015320435F70, 16 bytes long.
 Data: < fC S           > C8 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015320435F20, 16 bytes long.
 Data: < fC S           > A0 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015320430030, 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 0x0000015320435B10, 16 bytes long.
 Data: <xfC S           > 78 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015320435C00, 16 bytes long.
 Data: <PfC S           > 50 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015320435ED0, 16 bytes long.
 Data: <(fC S           > 28 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000153204355C0, 16 bytes long.
 Data: < fC S           > 00 66 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000153204312B0, 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 0x0000015320435E80, 16 bytes long.
 Data: <X B S           > 58 03 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001532042F550, 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 0x0000015320435FC0, 16 bytes long.
 Data: <0 B S           > 30 03 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015320435DE0, 16 bytes long.
 Data: <  B S           > 08 03 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015320435AC0, 16 bytes long.
 Data: <  B S           > E0 02 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015320435D90, 16 bytes long.
 Data: <  B S           > B8 02 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015320436240, 16 bytes long.
 Data: <  B S           > 90 02 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015320436060, 16 bytes long.
 Data: <h B S           > 68 02 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001532042FE50, 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 0x00000153204361A0, 16 bytes long.
 Data: <@ B S           > 40 02 42 20 53 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015320420240, 320 bytes long.
 Data: < aC S   P B S   > A0 61 43 20 53 01 00 00 50 FE 42 20 53 01 00 00 
{279} normal block at 0x00000153204356B0, 16 bytes long.
 Data: < eC S           > E0 65 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015320436290, 16 bytes long.
 Data: < eC S           > B8 65 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001532042F430, 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 0x00000153204360B0, 16 bytes long.
 Data: < eC S           > 90 65 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001532042F4F0, 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 0x00000153204357A0, 16 bytes long.
 Data: < dC S           > D8 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015320435A20, 16 bytes long.
 Data: < dC S           > B0 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015320435D40, 16 bytes long.
 Data: < dC S           > 88 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015320435CA0, 16 bytes long.
 Data: <`dC S           > 60 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015320435E30, 16 bytes long.
 Data: <8dC S           > 38 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015320435B60, 16 bytes long.
 Data: < dC S           > 10 64 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015320436010, 16 bytes long.
 Data: <  C S           > C0 0E 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015320430EC0, 40 bytes long.
 Data: < `C S     C S   > 10 60 43 20 53 01 00 00 A0 0F 43 20 53 01 00 00 
{265} normal block at 0x0000015320435CF0, 16 bytes long.
 Data: < cC S           > F0 63 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015320435BB0, 16 bytes long.
 Data: < cC S           > C8 63 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001532042F8B0, 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 0x0000015320435930, 16 bytes long.
 Data: < cC S           > A0 63 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000153204363A0, 992 bytes long.
 Data: <0YC S     B S   > 30 59 43 20 53 01 00 00 B0 F8 42 20 53 01 00 00 
{97} normal block at 0x000001532042F790, 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 0x000001532042D2D0, 16 bytes long.
 Data: <  C S           > E0 0D 43 20 53 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000015320430DE0, 40 bytes long.
 Data: <  B S     B S   > D0 D2 42 20 53 01 00 00 90 F7 42 20 53 01 00 00 
{74} normal block at 0x000001532042DB40, 16 bytes long.
 Data: <   c            > 80 EA 83 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001532042DDC0, 16 bytes long.
 Data: <@  c            > 40 E9 83 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001532042D230, 16 bytes long.
 Data: < W c            > F8 57 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001532042DEB0, 16 bytes long.
 Data: < W c            > D8 57 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001532042D1E0, 16 bytes long.
 Data: <P  c            > 50 04 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001532042DCD0, 16 bytes long.
 Data: <0  c            > 30 04 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001532042D190, 16 bytes long.
 Data: <   c            > E0 02 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001532042D370, 16 bytes long.
 Data: <   c            > 10 04 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001532042D640, 16 bytes long.
 Data: <p  c            > 70 04 80 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001532042DAA0, 16 bytes long.
 Data: <  ~c            > 18 C0 7E 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>