Task 38609983

Name MCL1_A41_A16_r0_2-QUICO_ATM_OpenFF_MCL1-1-6-RND5002_1
Workunit 31562956
Created 15 Apr 2026, 5:12:49 UTC
Sent 15 Apr 2026, 5:13:14 UTC
Report deadline 20 Apr 2026, 5:13:14 UTC
Received 15 Apr 2026, 21:37:32 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 593616
Run time 1 min 53 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,505.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 38.13 MB
Peak swap size 28.94 MB
Peak disk usage 2.79 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł�  �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:25:33 (156940): wrapper (7.9.26016): starting
22:25:33 (156940): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A16_0.pdb
QB_A41_A16_0.xml
QB_A41_A16.inpcrd
QB_A41_A16_input.yaml
QB_A41_A16.pdb
QB_A41_A16.prmtop
QB_A41_A16_sys.xml
run.bat
run.sh
22:25:34 (156940): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:25:34 (156940): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' &#130;&#205;&#129;A&#147;&#224;&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#130;&#220;&#130;&#189;&#130;&#205;&#138;O&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#129;A
&#145;&#128;&#141;&#236;&#137;&#194;&#148;\&#130;&#200;&#131;v&#131;&#141;&#131;O&#131;&#137;&#131;&#128;&#130;&#220;&#130;&#189;&#130;&#205;&#131;o&#131;b&#131;` &#131;t&#131;@&#131;C&#131;&#139;&#130;&#198;&#130;&#181;&#130;&#196;&#148;F&#142;&#175;&#130;&#179;&#130;&#234;&#130;&#196;&#130;&#162;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
  WARNING: The script pyaml.exe is installed in 'D:\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 'D:\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.
22:29:19 (156940): C:/Windows/system32/cmd.exe exited; CPU time 185.968750
22:29:19 (156940): app exit status: 0x40010004
22:29:19 (156940): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 4053647 bytes.
Dumping objects ->
{3835325} normal block at 0x0000029227050BC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835314} normal block at 0x00000292270513A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000029227051560, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835292} normal block at 0x0000029227051250, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835281} normal block at 0x0000029227050D10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835250} normal block at 0x0000029227533FA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835237} normal block at 0x000002922542DBA0, 8 bytes long.
 Data: <  @%    > 00 00 40 25 92 02 00 00 
{3834073} normal block at 0x000002922542E0A0, 8 bytes long.
 Data: < &#221;A%    > 90 DD 41 25 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029225421820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029225422B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000029225436410, 16 bytes long.
 Data: <&#184;uC%            > B8 75 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029225436C30, 16 bytes long.
 Data: < uC%            > 90 75 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000292254309E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000029225436A00, 16 bytes long.
 Data: <huC%            > 68 75 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029225436E60, 16 bytes long.
 Data: <@uC%            > 40 75 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029225436910, 16 bytes long.
 Data: < uC%            > 18 75 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000292254365F0, 16 bytes long.
 Data: < tC%            > F0 74 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029225432140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000029225436D70, 16 bytes long.
 Data: <( B%            > 28 0E 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029225430EC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000029225436690, 16 bytes long.
 Data: <  B%            > 00 0E 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029225436640, 16 bytes long.
 Data: <&#216; B%            > D8 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000292254368C0, 16 bytes long.
 Data: <&#176; B%            > B0 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029225436320, 16 bytes long.
 Data: <  B%            > 88 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000292254362D0, 16 bytes long.
 Data: <` B%            > 60 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029225436FF0, 16 bytes long.
 Data: <8 B%            > 38 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029225430560, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000292254369B0, 16 bytes long.
 Data: <  B%            > 10 0D 42 25 92 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029225420D10, 320 bytes long.
 Data: <&#176;iC%    ` C%    > B0 69 43 25 92 02 00 00 60 05 43 25 92 02 00 00 
{280} normal block at 0x0000029225436E10, 16 bytes long.
 Data: <&#208;tC%            > D0 74 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029225436C80, 16 bytes long.
 Data: <&#168;tC%            > A8 74 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029225430200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000029225437220, 16 bytes long.
 Data: < tC%            > 80 74 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029225430800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000292254365A0, 16 bytes long.
 Data: <&#200;sC%            > C8 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029225436D20, 16 bytes long.
 Data: < sC%            > A0 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029225436500, 16 bytes long.
 Data: <xsC%            > 78 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029225436370, 16 bytes long.
 Data: <PsC%            > 50 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029225436DC0, 16 bytes long.
 Data: <(sC%            > 28 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029225436B90, 16 bytes long.
 Data: < sC%            > 00 73 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029225436550, 16 bytes long.
 Data: < "C%            > 20 22 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029225432220, 40 bytes long.
 Data: <PeC%     ?S'    > 50 65 43 25 92 02 00 00 A0 3F 53 27 92 02 00 00 
{266} normal block at 0x0000029225436CD0, 16 bytes long.
 Data: < rC%            > E0 72 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000292254371D0, 16 bytes long.
 Data: <&#184;rC%            > B8 72 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029225430C80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000029225437180, 16 bytes long.
 Data: < rC%            > 90 72 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029225437290, 992 bytes long.
 Data: < qC%      C%    > 80 71 43 25 92 02 00 00 80 0C 43 25 92 02 00 00 
{98} normal block at 0x0000029225430980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002922542E410, 16 bytes long.
 Data: < "C%            > 90 22 43 25 92 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000029225432290, 40 bytes long.
 Data: <  B%     	C%    > 10 E4 42 25 92 02 00 00 80 09 43 25 92 02 00 00 
{73} normal block at 0x000002922542E640, 16 bytes long.
 Data: <                > 80 EA 0D 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002922542DDD0, 16 bytes long.
 Data: <@               > 40 E9 0D 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002922542E190, 16 bytes long.
 Data: < W              > F8 57 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002922542DB50, 16 bytes long.
 Data: <&#216;W              > D8 57 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002922542DCE0, 16 bytes long.
 Data: <P               > 50 04 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002922542DB00, 16 bytes long.
 Data: <0               > 30 04 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002922542E870, 16 bytes long.
 Data: <                > E0 02 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002922542DEC0, 16 bytes long.
 Data: <                > 10 04 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002922542EA00, 16 bytes long.
 Data: <p               > 70 04 0A 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002922542E730, 16 bytes long.
 Data: < &#192;              > 18 C0 08 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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