Task 38607355

Name BACE_A18_A19_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-2-6-RND1368_0
Workunit 31560858
Created 14 Apr 2026, 9:35:10 UTC
Sent 14 Apr 2026, 9:35:20 UTC
Report deadline 19 Apr 2026, 9:35:20 UTC
Received 14 Apr 2026, 16:47:29 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643393
Run time 1 min 44 sec
CPU time 15 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 44,753.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 333.55 MB
Peak swap size 3.17 GB
Peak disk usage 2.98 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>
18:45:42 (11536): wrapper (7.9.26016): starting
18:45:42 (11536): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A19_0.pdb
QB_A18_A19_0.xml
QB_A18_A19.inpcrd
QB_A18_A19_input.yaml
QB_A18_A19.pdb
QB_A18_A19.prmtop
QB_A18_A19_sys.xml
run.bat
run.sh
18:45:43 (11536): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:45:43 (11536): 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.
18:46:18 (11536): C:/Windows/system32/cmd.exe exited; CPU time 15.390625
18:46:18 (11536): app exit status: 0x16
18:46:18 (11536): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 553031 bytes.
Dumping objects ->
{3835216} normal block at 0x000001F9A7BE7030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001F9A7BE7420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001F9A7BE70A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835183} normal block at 0x000001F9A7BE7260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F9A7BE7A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835141} normal block at 0x000001F9A7B8A2B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835130} normal block at 0x000001F9A60ACE80, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835127} normal block at 0x000001F9A60A65F0, 8 bytes long.
 Data: <  &#155;&#167;&#249;   > 00 00 9B A7 F9 01 00 00 
{3834529} normal block at 0x000001F9A60ADD20, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001F9A60A7040, 8 bytes long.
 Data: < &#234; &#166;&#249;   > 20 EA 18 A6 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F9A60AF360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F9A60B03E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001F9A60B1250, 16 bytes long.
 Data: <x  &#166;&#249;           > 78 1D 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F9A60B0F80, 16 bytes long.
 Data: <P  &#166;&#249;           > 50 1D 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F9A60A93F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001F9A60B1200, 16 bytes long.
 Data: <(  &#166;&#249;           > 28 1D 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9A60B0F30, 16 bytes long.
 Data: <   &#166;&#249;           > 00 1D 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F9A60B04E0, 16 bytes long.
 Data: <&#216;  &#166;&#249;           > D8 1C 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F9A60B1070, 16 bytes long.
 Data: <&#176;  &#166;&#249;           > B0 1C 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9A60AB2C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001F9A60B1110, 16 bytes long.
 Data: <x  &#166;&#249;           > 78 03 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9A60A9BD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001F9A60B1390, 16 bytes long.
 Data: <P  &#166;&#249;           > 50 03 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9A60B11B0, 16 bytes long.
 Data: <(  &#166;&#249;           > 28 03 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F9A60B1430, 16 bytes long.
 Data: <   &#166;&#249;           > 00 03 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F9A60B0B20, 16 bytes long.
 Data: <&#216;  &#166;&#249;           > D8 02 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F9A60B0AD0, 16 bytes long.
 Data: <&#176;  &#166;&#249;           > B0 02 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F9A60B09E0, 16 bytes long.
 Data: <   &#166;&#249;           > 88 02 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F9A60A9210, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001F9A60B13E0, 16 bytes long.
 Data: <`  &#166;&#249;           > 60 02 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F9A60B0260, 320 bytes long.
 Data: <&#224;  &#166;&#249;    &#146; &#166;&#249;   > E0 13 0B A6 F9 01 00 00 10 92 0A A6 F9 01 00 00 
{269} normal block at 0x000001F9A60B1160, 16 bytes long.
 Data: <   &#166;&#249;           > 90 1C 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9A60B0A30, 16 bytes long.
 Data: <h  &#166;&#249;           > 68 1C 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F9A60A9090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001F9A60B1020, 16 bytes long.
 Data: <@  &#166;&#249;           > 40 1C 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9A60A91B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001F9A60B1340, 16 bytes long.
 Data: <   &#166;&#249;           > 88 1B 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F9A60B0670, 16 bytes long.
 Data: <`  &#166;&#249;           > 60 1B 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9A60B0B70, 16 bytes long.
 Data: <8  &#166;&#249;           > 38 1B 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F9A60B07B0, 16 bytes long.
 Data: <   &#166;&#249;           > 10 1B 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9A60B0E90, 16 bytes long.
 Data: <&#232;  &#166;&#249;           > E8 1A 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F9A60B0C10, 16 bytes long.
 Data: <&#192;  &#166;&#249;           > C0 1A 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F9A60B10C0, 16 bytes long.
 Data: <&#160;&#179; &#166;&#249;           > A0 B3 0A A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F9A60AB3A0, 40 bytes long.
 Data: <&#192;  &#166;&#249;   &#176;&#162;&#184;&#167;&#249;   > C0 10 0B A6 F9 01 00 00 B0 A2 B8 A7 F9 01 00 00 
{255} normal block at 0x000001F9A60B0940, 16 bytes long.
 Data: <&#160;  &#166;&#249;           > A0 1A 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F9A60B0CB0, 16 bytes long.
 Data: <x  &#166;&#249;           > 78 1A 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F9A60A9DB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001F9A60B12A0, 16 bytes long.
 Data: <P  &#166;&#249;           > 50 1A 0B A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F9A60B1A50, 992 bytes long.
 Data: <&#160;  &#166;&#249;   &#176;  &#166;&#249;   > A0 12 0B A6 F9 01 00 00 B0 9D 0A A6 F9 01 00 00 
{87} normal block at 0x000001F9A60A9030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001F9A60A6960, 16 bytes long.
 Data: < &#180; &#166;&#249;           > 10 B4 0A A6 F9 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001F9A60AB410, 40 bytes long.
 Data: <`i &#166;&#249;   0  &#166;&#249;   > 60 69 0A A6 F9 01 00 00 30 90 0A A6 F9 01 00 00 
{64} normal block at 0x000001F9A60A6C80, 16 bytes long.
 Data: < &#234;&#218;&#160;&#247;           > 80 EA DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9A60A65A0, 16 bytes long.
 Data: <@&#233;&#218;&#160;&#247;           > 40 E9 DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9A60A6500, 16 bytes long.
 Data: <&#248;W&#215;&#160;&#247;           > F8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F9A60A6E10, 16 bytes long.
 Data: <&#216;W&#215;&#160;&#247;           > D8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F9A60A6AA0, 16 bytes long.
 Data: <P &#215;&#160;&#247;           > 50 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F9A60A68C0, 16 bytes long.
 Data: <0 &#215;&#160;&#247;           > 30 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F9A60A70E0, 16 bytes long.
 Data: <&#224; &#215;&#160;&#247;           > E0 02 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F9A60A6D70, 16 bytes long.
 Data: <  &#215;&#160;&#247;           > 10 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F9A60A7270, 16 bytes long.
 Data: <p &#215;&#160;&#247;           > 70 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F9A60A6370, 16 bytes long.
 Data: < &#192;&#213;&#160;&#247;           > 18 C0 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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