Task 38598256

Name p38_A19_A31_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND6185_2
Workunit 31553273
Created 8 Apr 2026, 9:10:58 UTC
Sent 8 Apr 2026, 9:19:33 UTC
Report deadline 13 Apr 2026, 9:19:33 UTC
Received 8 Apr 2026, 22:19:54 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643393
Run time 2 hours 8 min 25 sec
CPU time 2 hours 7 min 35 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 670.41 MB
Peak swap size 3.88 GB
Peak disk usage 4.06 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>
22:12:13 (2272): wrapper (7.9.26016): starting
22:12:13 (2272): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A31_0.pdb
QB_A19_A31_0.xml
QB_A19_A31.inpcrd
QB_A19_A31_input.yaml
QB_A19_A31.pdb
QB_A19_A31.prmtop
QB_A19_A31_sys.xml
run.bat
run.sh
22:12:14 (2272): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:12:14 (2272): 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\18\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\18\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.
00:17:54 (2272): C:/Windows/system32/cmd.exe exited; CPU time 7655.578125
00:17:54 (2272): app exit status: 0x16
00:17:54 (2272): 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: 100656869 bytes.
Dumping objects ->
{3846229} normal block at 0x000001AE42721060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3846218} normal block at 0x000001AE427201F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3846207} normal block at 0x000001AE427207A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3846196} normal block at 0x000001AE42720F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3846185} normal block at 0x000001AE42720260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3846154} normal block at 0x000001AE4275A3C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3846143} normal block at 0x000001AE42843EB0, 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) : {3846140} normal block at 0x000001AE427F5190, 8 bytes long.
 Data: <  &#195;@&#174;   > 00 00 C3 40 AE 01 00 00 
{3845542} normal block at 0x000001AE428446D0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3844960} normal block at 0x000001AE427F50F0, 8 bytes long.
 Data: <&#208;&#131;rB&#174;   > D0 83 72 42 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001AE40C604B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AE40C613F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001AE40C61E00, 16 bytes long.
 Data: < -&#198;@&#174;           > 88 2D C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AE40C61900, 16 bytes long.
 Data: <`-&#198;@&#174;           > 60 2D C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AE40C59890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001AE40C618B0, 16 bytes long.
 Data: <8-&#198;@&#174;           > 38 2D C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AE40C61810, 16 bytes long.
 Data: < -&#198;@&#174;           > 10 2D C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AE40C62300, 16 bytes long.
 Data: <&#232;,&#198;@&#174;           > E8 2C C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AE40C619F0, 16 bytes long.
 Data: <&#192;,&#198;@&#174;           > C0 2C C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AE40C5B410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001AE40C621C0, 16 bytes long.
 Data: <  &#198;@&#174;           > 88 13 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AE40C598F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001AE40C61D10, 16 bytes long.
 Data: <` &#198;@&#174;           > 60 13 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AE40C61E50, 16 bytes long.
 Data: <8 &#198;@&#174;           > 38 13 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AE40C617C0, 16 bytes long.
 Data: <  &#198;@&#174;           > 10 13 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AE40C61770, 16 bytes long.
 Data: <&#232; &#198;@&#174;           > E8 12 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AE40C62260, 16 bytes long.
 Data: <&#192; &#198;@&#174;           > C0 12 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE40C62170, 16 bytes long.
 Data: <  &#198;@&#174;           > 98 12 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE40C599B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001AE40C62350, 16 bytes long.
 Data: <p &#198;@&#174;           > 70 12 C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE40C61270, 320 bytes long.
 Data: <P#&#198;@&#174;   &#176; &#197;@&#174;   > 50 23 C6 40 AE 01 00 00 B0 99 C5 40 AE 01 00 00 
{273} normal block at 0x000001AE40C61B30, 16 bytes long.
 Data: <&#160;,&#198;@&#174;           > A0 2C C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AE40C614F0, 16 bytes long.
 Data: <x,&#198;@&#174;           > 78 2C C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AE40C59830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001AE40C61BD0, 16 bytes long.
 Data: <P,&#198;@&#174;           > 50 2C C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AE40C596B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001AE40C61950, 16 bytes long.
 Data: < +&#198;@&#174;           > 98 2B C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AE40C61720, 16 bytes long.
 Data: <p+&#198;@&#174;           > 70 2B C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AE40C61B80, 16 bytes long.
 Data: <H+&#198;@&#174;           > 48 2B C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE40C61860, 16 bytes long.
 Data: < +&#198;@&#174;           > 20 2B C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AE40C622B0, 16 bytes long.
 Data: <&#248;*&#198;@&#174;           > F8 2A C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE40C616D0, 16 bytes long.
 Data: <&#208;*&#198;@&#174;           > D0 2A C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AE40C61590, 16 bytes long.
 Data: < &#176;&#197;@&#174;           > 90 B0 C5 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE40C5B090, 40 bytes long.
 Data: <  &#198;@&#174;   &#192;&#163;uB&#174;   > 90 15 C6 40 AE 01 00 00 C0 A3 75 42 AE 01 00 00 
{259} normal block at 0x000001AE40C61680, 16 bytes long.
 Data: <&#176;*&#198;@&#174;           > B0 2A C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AE40C623F0, 16 bytes long.
 Data: < *&#198;@&#174;           > 88 2A C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AE40C59950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001AE40C61F40, 16 bytes long.
 Data: <`*&#198;@&#174;           > 60 2A C6 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AE40C62A60, 992 bytes long.
 Data: <@ &#198;@&#174;   P &#197;@&#174;   > 40 1F C6 40 AE 01 00 00 50 99 C5 40 AE 01 00 00 
{91} normal block at 0x000001AE40C59410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001AE40C56690, 16 bytes long.
 Data: <`&#181;&#197;@&#174;           > 60 B5 C5 40 AE 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001AE40C5B560, 40 bytes long.
 Data: < f&#197;@&#174;    &#148;&#197;@&#174;   > 90 66 C5 40 AE 01 00 00 10 94 C5 40 AE 01 00 00 
{68} normal block at 0x000001AE40C569B0, 16 bytes long.
 Data: < &#234;&#178;W&#246;           > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AE40C56E10, 16 bytes long.
 Data: <@&#233;&#178;W&#246;           > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AE40C56D70, 16 bytes long.
 Data: <&#248;W&#175;W&#246;           > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AE40C56640, 16 bytes long.
 Data: <&#216;W&#175;W&#246;           > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AE40C56910, 16 bytes long.
 Data: <P &#175;W&#246;           > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE40C565F0, 16 bytes long.
 Data: <0 &#175;W&#246;           > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE40C56D20, 16 bytes long.
 Data: <&#224; &#175;W&#246;           > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE40C56F00, 16 bytes long.
 Data: <  &#175;W&#246;           > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AE40C563C0, 16 bytes long.
 Data: <p &#175;W&#246;           > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AE40C56CD0, 16 bytes long.
 Data: < &#192;&#173;W&#246;           > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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