Task 38623903

Name CDK2_A06_A01_r0_4-QUICO_ATM_OpenFF_CDK2-2-6-RND6462_1
Workunit 31574433
Created 22 Apr 2026, 3:22:41 UTC
Sent 22 Apr 2026, 3:22:44 UTC
Report deadline 27 Apr 2026, 3:22:44 UTC
Received 22 Apr 2026, 23:03:47 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 609821
Run time 4 hours 46 min 28 sec
CPU time 4 hours 44 min 25 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,122.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.89 MB
Peak swap size 8.44 GB
Peak disk usage 3.10 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
���̃I�y���[�e�B���O �V�X�e���ł�  �͎��s����܂���B
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:31:34 (11440): wrapper (7.9.26016): starting
12:31:34 (11440): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A01_0.pdb
QB_A06_A01_0.xml
QB_A06_A01.inpcrd
QB_A06_A01_input.yaml
QB_A06_A01.pdb
QB_A06_A01.prmtop
QB_A06_A01_sys.xml
run.bat
run.sh
12:31:36 (11440): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:31:36 (11440): 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\5\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\5\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.
18:39:48 (11440): C:/Windows/system32/cmd.exe exited; CPU time 22073.890625
18:39:48 (11440): app exit status: 0x40010004
18:39:48 (11440): called boinc_finish(195)
0 bytes in 0 Free Blocks.
656 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: 319087377 bytes.
Dumping objects ->
{3835376} normal block at 0x000001CDA98460D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001CDA98464C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835354} normal block at 0x000001CDA9846220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835343} normal block at 0x000001CDA9846060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835332} normal block at 0x000001CDA9845FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835301} normal block at 0x000001CDAB9A86C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835290} normal block at 0x000001CDA983BA40, 200 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) : {3835287} normal block at 0x000001CDA983DCF0, 8 bytes long.
 Data: <   &#169;&#205;   > 00 00 EF A9 CD 01 00 00 
{3834669} normal block at 0x000001CDA983B600, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834053} normal block at 0x000001CDA983D480, 8 bytes long.
 Data: <&#176;&#222; &#169;&#205;   > B0 DE 82 A9 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CDA9830EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CDA9832560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001CDA9844DF0, 16 bytes long.
 Data: <X] &#169;&#205;           > 58 5D 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CDA98451B0, 16 bytes long.
 Data: <0] &#169;&#205;           > 30 5D 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CDA98413B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001CDA9844C60, 16 bytes long.
 Data: < ] &#169;&#205;           > 08 5D 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CDA9844FD0, 16 bytes long.
 Data: < \ &#169;&#205;           > E0 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CDA9844710, 16 bytes long.
 Data: <&#184;\ &#169;&#205;           > B8 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CDA9845070, 16 bytes long.
 Data: < \ &#169;&#205;           > 90 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CDA9846530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001CDA9844A30, 16 bytes long.
 Data: <(&#180; &#169;&#205;           > 28 B4 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CDA9841350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001CDA9844C10, 16 bytes long.
 Data: < &#180; &#169;&#205;           > 00 B4 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CDA9844BC0, 16 bytes long.
 Data: <&#216;&#179; &#169;&#205;           > D8 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CDA98452A0, 16 bytes long.
 Data: <&#176;&#179; &#169;&#205;           > B0 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CDA98446C0, 16 bytes long.
 Data: < &#179; &#169;&#205;           > 88 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CDA9844990, 16 bytes long.
 Data: <`&#179; &#169;&#205;           > 60 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CDA98448F0, 16 bytes long.
 Data: <8&#179; &#169;&#205;           > 38 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CDA9840810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001CDA9844670, 16 bytes long.
 Data: < &#179; &#169;&#205;           > 10 B3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CDA982B310, 320 bytes long.
 Data: <pF &#169;&#205;      &#169;&#205;   > 70 46 84 A9 CD 01 00 00 10 08 84 A9 CD 01 00 00 
{275} normal block at 0x000001CDA9845160, 16 bytes long.
 Data: <p\ &#169;&#205;           > 70 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CDA9844B70, 16 bytes long.
 Data: <H\ &#169;&#205;           > 48 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CDA9840750, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001CDA9844760, 16 bytes long.
 Data: < \ &#169;&#205;           > 20 5C 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CDA98410B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001CDA9844D50, 16 bytes long.
 Data: <h[ &#169;&#205;           > 68 5B 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CDA98455C0, 16 bytes long.
 Data: <@[ &#169;&#205;           > 40 5B 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CDA9845110, 16 bytes long.
 Data: < [ &#169;&#205;           > 18 5B 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CDA9845520, 16 bytes long.
 Data: < Z &#169;&#205;           > F0 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CDA9844DA0, 16 bytes long.
 Data: <&#200;Z &#169;&#205;           > C8 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CDA9845200, 16 bytes long.
 Data: < Z &#169;&#205;           > A0 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CDA9844A80, 16 bytes long.
 Data: <P  &#169;&#205;           > 50 E3 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CDA982E350, 40 bytes long.
 Data: < J &#169;&#205;   &#192;  &#171;&#205;   > 80 4A 84 A9 CD 01 00 00 C0 86 9A AB CD 01 00 00 
{261} normal block at 0x000001CDA9845250, 16 bytes long.
 Data: < Z &#169;&#205;           > 80 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CDA9844800, 16 bytes long.
 Data: <XZ &#169;&#205;           > 58 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CDA98407B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001CDA98450C0, 16 bytes long.
 Data: <0Z &#169;&#205;           > 30 5A 84 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CDA9845A30, 992 bytes long.
 Data: <&#192;P &#169;&#205;   &#176;  &#169;&#205;   > C0 50 84 A9 CD 01 00 00 B0 07 84 A9 CD 01 00 00 
{93} normal block at 0x000001CDA9840DB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001CDA983D340, 16 bytes long.
 Data: <`  &#169;&#205;           > 60 ED 82 A9 CD 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001CDA982ED60, 40 bytes long.
 Data: <@&#211; &#169;&#205;   &#176;  &#169;&#205;   > 40 D3 83 A9 CD 01 00 00 B0 0D 84 A9 CD 01 00 00 
{68} normal block at 0x000001CDA983DDE0, 16 bytes long.
 Data: <  .+            > 80 EA 2E 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CDA983D7A0, 16 bytes long.
 Data: <@ .+            > 40 E9 2E 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CDA983D5C0, 16 bytes long.
 Data: < W++            > F8 57 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CDA983D610, 16 bytes long.
 Data: <&#216;W++            > D8 57 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CDA983D570, 16 bytes long.
 Data: <P ++            > 50 04 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CDA983CFD0, 16 bytes long.
 Data: <0 ++            > 30 04 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CDA983DC00, 16 bytes long.
 Data: <  ++            > E0 02 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CDA983D8E0, 16 bytes long.
 Data: <  ++            > 10 04 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CDA983D980, 16 bytes long.
 Data: <p ++            > 70 04 2B 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CDA983DED0, 16 bytes long.
 Data: < &#192;)+            > 18 C0 29 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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