Task 38684883

Name test_788-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6774_0
Workunit 31626382
Created 27 Oct 2026, 18:23:50 UTC
Sent 27 Oct 2026, 18:24:15 UTC
Report deadline 1 Nov 2026, 18:24:15 UTC
Received 27 Oct 2026, 19:03:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 21 sec
CPU time 34 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,977.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.44 MB
Peak swap size 5.28 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:26:39 (173796): wrapper (7.9.26016): starting
13:26:39 (173796): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
13:26:41 (173796): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:26:41 (173796): 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 'E:\ProgramData\BOINC\slots\10\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 'E:\ProgramData\BOINC\slots\10\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:02:54 (173796): C:/Windows/system32/cmd.exe exited; CPU time 2044.671875
14:02:54 (173796): called boinc_finish(0)
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: 35346813 bytes.
Dumping objects ->
{3835286} normal block at 0x00000207946BEC10, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000207946BE350, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000207946BF000, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x0000020792B85760, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000020792B85DF0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x000002079470C910, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000020792BEB2B0, 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) : {3835197} normal block at 0x0000020792B7E670, 8 bytes long.
 Data: <  &#232;&#146;    > 00 00 E8 92 07 02 00 00 
{3834570} normal block at 0x0000020792BEB520, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000020792B7E620, 8 bytes long.
 Data: <@&#234;&#197;&#146;    > 40 EA C5 92 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020792B82550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020792B77200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000020792B86C30, 16 bytes long.
 Data: < w&#184;&#146;            > 98 77 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020792B86B40, 16 bytes long.
 Data: <pw&#184;&#146;            > 70 77 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020792B80CC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000020792B86870, 16 bytes long.
 Data: <Hw&#184;&#146;            > 48 77 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020792B87270, 16 bytes long.
 Data: < w&#184;&#146;            > 20 77 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020792B86780, 16 bytes long.
 Data: <&#248;v&#184;&#146;            > F8 76 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020792B87130, 16 bytes long.
 Data: <&#208;v&#184;&#146;            > D0 76 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020792B85990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000020792B86960, 16 bytes long.
 Data: <(&#255;&#183;&#146;            > 28 FF B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020792B80360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000020792B872C0, 16 bytes long.
 Data: < &#255;&#183;&#146;            > 00 FF B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020792B86640, 16 bytes long.
 Data: <&#216;&#254;&#183;&#146;            > D8 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020792B86E60, 16 bytes long.
 Data: <&#176;&#254;&#183;&#146;            > B0 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020792B87220, 16 bytes long.
 Data: < &#254;&#183;&#146;            > 88 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020792B865F0, 16 bytes long.
 Data: <`&#254;&#183;&#146;            > 60 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020792B86730, 16 bytes long.
 Data: <8&#254;&#183;&#146;            > 38 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020792B80120, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000020792B86AA0, 16 bytes long.
 Data: < &#254;&#183;&#146;            > 10 FE B7 92 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020792B7FE10, 320 bytes long.
 Data: <&#160;j&#184;&#146;      &#184;&#146;    > A0 6A B8 92 07 02 00 00 20 01 B8 92 07 02 00 00 
{276} normal block at 0x0000020792B873B0, 16 bytes long.
 Data: <&#176;v&#184;&#146;            > B0 76 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020792B871D0, 16 bytes long.
 Data: < v&#184;&#146;            > 88 76 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020792B800C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000020792B86E10, 16 bytes long.
 Data: <`v&#184;&#146;            > 60 76 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020792B80720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000020792B870E0, 16 bytes long.
 Data: <&#168;u&#184;&#146;            > A8 75 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020792B86D70, 16 bytes long.
 Data: < u&#184;&#146;            > 80 75 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020792B86EB0, 16 bytes long.
 Data: <Xu&#184;&#146;            > 58 75 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020792B87310, 16 bytes long.
 Data: <0u&#184;&#146;            > 30 75 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020792B866E0, 16 bytes long.
 Data: < u&#184;&#146;            > 08 75 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020792B867D0, 16 bytes long.
 Data: <&#224;t&#184;&#146;            > E0 74 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020792B87090, 16 bytes long.
 Data: <0\&#184;&#146;            > 30 5C B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020792B85C30, 40 bytes long.
 Data: < p&#184;&#146;     &#201;p&#148;    > 90 70 B8 92 07 02 00 00 10 C9 70 94 07 02 00 00 
{262} normal block at 0x0000020792B86F00, 16 bytes long.
 Data: <&#192;t&#184;&#146;            > C0 74 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020792B87040, 16 bytes long.
 Data: < t&#184;&#146;            > 98 74 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020792B801E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000020792B86690, 16 bytes long.
 Data: <pt&#184;&#146;            > 70 74 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020792B87470, 992 bytes long.
 Data: < f&#184;&#146;    &#224; &#184;&#146;    > 90 66 B8 92 07 02 00 00 E0 01 B8 92 07 02 00 00 
{94} normal block at 0x0000020792B806C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000020792B7DD10, 16 bytes long.
 Data: <&#176;X&#184;&#146;            > B0 58 B8 92 07 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020792B858B0, 40 bytes long.
 Data: < &#221;&#183;&#146;    &#192; &#184;&#146;    > 10 DD B7 92 07 02 00 00 C0 06 B8 92 07 02 00 00 
{71} normal block at 0x0000020792B7E210, 16 bytes long.
 Data: < &#234;&#155;&#216;&#246;           > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020792B7E170, 16 bytes long.
 Data: <@&#233;&#155;&#216;&#246;           > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020792B7E3F0, 16 bytes long.
 Data: <&#248;W &#216;&#246;           > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020792B7E440, 16 bytes long.
 Data: <&#216;W &#216;&#246;           > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020792B7E5D0, 16 bytes long.
 Data: <P  &#216;&#246;           > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020792B7DEA0, 16 bytes long.
 Data: <0  &#216;&#246;           > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020792B7E530, 16 bytes long.
 Data: <&#224;  &#216;&#246;           > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020792B7E850, 16 bytes long.
 Data: <   &#216;&#246;           > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020792B7DE50, 16 bytes long.
 Data: <p  &#216;&#246;           > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020792B7DB80, 16 bytes long.
 Data: < &#192;&#150;&#216;&#246;           > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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