Task 38613496

Name MCL1_A28_A39_r0_2-QUICO_ATM_OpenFF_MCL1-5-6-RND0340_0
Workunit 31565967
Created 16 Apr 2026, 20:53:49 UTC
Sent 16 Apr 2026, 20:53:51 UTC
Report deadline 21 Apr 2026, 20:53:51 UTC
Received 17 Apr 2026, 2:49:28 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 31 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 355.65 MB
Peak swap size 3.20 GB
Peak disk usage 1.46 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>
04:48:27 (10364): wrapper (7.9.26016): starting
04:48:27 (10364): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A39_0.pdb
QB_A28_A39_0.xml
QB_A28_A39.inpcrd
QB_A28_A39_input.yaml
QB_A28_A39.pdb
QB_A28_A39.prmtop
QB_A28_A39_sys.xml
run.bat
run.sh
04:48:28 (10364): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:48:28 (10364): 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.
04:49:05 (10364): C:/Windows/system32/cmd.exe exited; CPU time 31.203125
04:49:05 (10364): app exit status: 0x16
04:49:05 (10364): 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: 563743 bytes.
Dumping objects ->
{3835216} normal block at 0x00000189147B3D60, 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 0x00000189147B34A0, 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 0x00000189147B3CF0, 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 0x00000189147B3970, 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 0x00000189147B3C10, 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 0x00000189146CAA80, 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 0x0000018912C4DE70, 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 0x0000018912C4CDE0, 8 bytes long.
 Data: <  a &#137;   > 00 00 61 14 89 01 00 00 
{3834529} normal block at 0x0000018912C4D650, 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 0x0000018912C4C700, 8 bytes long.
 Data: <p@{ &#137;   > 70 40 7B 14 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000018912C4FAD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018912C37330, 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 0x0000018912C4C8E0, 16 bytes long.
 Data: <h &#197; &#137;           > 68 0D C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018912C4CCA0, 16 bytes long.
 Data: <@ &#197; &#137;           > 40 0D C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018912C49500, 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 0x0000018912C4C890, 16 bytes long.
 Data: <  &#197; &#137;           > 18 0D C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018912C4C840, 16 bytes long.
 Data: <&#240; &#197; &#137;           > F0 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018912C4C750, 16 bytes long.
 Data: <&#200; &#197; &#137;           > C8 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018912C4C9D0, 16 bytes long.
 Data: <&#160; &#197; &#137;           > A0 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018912C4AA30, 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 0x0000018912C4CC50, 16 bytes long.
 Data: <XO&#195; &#137;           > 58 4F C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018912C48FC0, 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 0x0000018912C4CC00, 16 bytes long.
 Data: <0O&#195; &#137;           > 30 4F C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018912C4CD90, 16 bytes long.
 Data: < O&#195; &#137;           > 08 4F C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018912C4C020, 16 bytes long.
 Data: <&#224;N&#195; &#137;           > E0 4E C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018912C4CA20, 16 bytes long.
 Data: <&#184;N&#195; &#137;           > B8 4E C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018912C4CBB0, 16 bytes long.
 Data: < N&#195; &#137;           > 90 4E C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018912C4C430, 16 bytes long.
 Data: <hN&#195; &#137;           > 68 4E C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018912C48EA0, 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 0x0000018912C4C6B0, 16 bytes long.
 Data: <@N&#195; &#137;           > 40 4E C3 12 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018912C34E40, 320 bytes long.
 Data: <&#176;&#198;&#196; &#137;   &#160;&#142;&#196; &#137;   > B0 C6 C4 12 89 01 00 00 A0 8E C4 12 89 01 00 00 
{269} normal block at 0x0000018912C4C520, 16 bytes long.
 Data: <  &#197; &#137;           > 80 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018912C4C7F0, 16 bytes long.
 Data: <X &#197; &#137;           > 58 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018912C48DE0, 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 0x0000018912C4C3E0, 16 bytes long.
 Data: <0 &#197; &#137;           > 30 0C C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018912C49320, 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 0x0000018912C4C340, 16 bytes long.
 Data: <x &#197; &#137;           > 78 0B C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018912C4C2F0, 16 bytes long.
 Data: <P &#197; &#137;           > 50 0B C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018912C4CCF0, 16 bytes long.
 Data: <( &#197; &#137;           > 28 0B C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018912C4C2A0, 16 bytes long.
 Data: <  &#197; &#137;           > 00 0B C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018912C4C1B0, 16 bytes long.
 Data: <&#216; &#197; &#137;           > D8 0A C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018912C4C0C0, 16 bytes long.
 Data: <&#176; &#197; &#137;           > B0 0A C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018912C4BEE0, 16 bytes long.
 Data: <&#192;&#169;&#196; &#137;           > C0 A9 C4 12 89 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018912C4A9C0, 40 bytes long.
 Data: <&#224;&#190;&#196; &#137;    &#170;l &#137;   > E0 BE C4 12 89 01 00 00 80 AA 6C 14 89 01 00 00 
{255} normal block at 0x0000018912C4CB60, 16 bytes long.
 Data: <  &#197; &#137;           > 90 0A C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018912C4C070, 16 bytes long.
 Data: <h &#197; &#137;           > 68 0A C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018912C48A80, 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 0x0000018912C4C7A0, 16 bytes long.
 Data: <@ &#197; &#137;           > 40 0A C5 12 89 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018912C50A40, 992 bytes long.
 Data: <&#160;&#199;&#196; &#137;    &#138;&#196; &#137;   > A0 C7 C4 12 89 01 00 00 80 8A C4 12 89 01 00 00 
{87} normal block at 0x0000018912C49680, 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 0x0000018912C4C5C0, 16 bytes long.
 Data: < &#167;&#196; &#137;           > 20 A7 C4 12 89 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000018912C4A720, 40 bytes long.
 Data: <&#192;&#197;&#196; &#137;    &#150;&#196; &#137;   > C0 C5 C4 12 89 01 00 00 80 96 C4 12 89 01 00 00 
{64} normal block at 0x0000018912C4C570, 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 0x0000018912C3ADA0, 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 0x0000018912C3AD00, 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 0x0000018912C3ACB0, 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 0x0000018912C3AB70, 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 0x0000018912C3AC60, 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 0x0000018912C3AB20, 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 0x0000018912C3AAD0, 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 0x0000018912C3AA80, 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 0x0000018912C3B110, 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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