Task 38685785

Name test_225-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6833_0
Workunit 31627242
Created 27 Oct 2026, 22:54:32 UTC
Sent 27 Oct 2026, 22:54:34 UTC
Report deadline 1 Nov 2026, 22:54:34 UTC
Received 27 Oct 2026, 23:39:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 16 sec
CPU time 34 min 11 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 676.29 MB
Peak swap size 5.28 GB
Peak disk usage 3.70 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:48 (129060): wrapper (7.9.26016): starting
18:02:48 (129060): 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
18:02:50 (129060): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:50 (129060): 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\1\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\1\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
18:38:57 (129060): C:/Windows/system32/cmd.exe exited; CPU time 2051.906250
18:38:57 (129060): 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: 35213405 bytes.
Dumping objects ->
{3835287} normal block at 0x00000227195CF000, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x00000227195CE9E0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000227195CF070, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x00000227178356F0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000022717835DF0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x0000022719617690, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002271789B860, 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 0x000002271782E530, 8 bytes long.
 Data: <  &#235; '   > 00 00 EB 17 27 02 00 00 
{3834570} normal block at 0x000002271789BAD0, 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 0x000002271782E7B0, 8 bytes long.
 Data: <@&#234;  '   > 40 EA 90 17 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022717832190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022717826D80, 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 0x0000022717836E10, 16 bytes long.
 Data: < w&#131; '           > 98 77 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000227178366E0, 16 bytes long.
 Data: <pw&#131; '           > 70 77 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022717830120, 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 0x00000227178373B0, 16 bytes long.
 Data: <Hw&#131; '           > 48 77 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000227178365F0, 16 bytes long.
 Data: < w&#131; '           > 20 77 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000227178369B0, 16 bytes long.
 Data: <&#248;v&#131; '           > F8 76 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022717837090, 16 bytes long.
 Data: <&#208;v&#131; '           > D0 76 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022717835840, 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 0x0000022717836C30, 16 bytes long.
 Data: <(&#255;&#130; '           > 28 FF 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000227178309C0, 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 0x0000022717836BE0, 16 bytes long.
 Data: < &#255;&#130; '           > 00 FF 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022717836960, 16 bytes long.
 Data: <&#216;&#254;&#130; '           > D8 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022717837360, 16 bytes long.
 Data: <&#176;&#254;&#130; '           > B0 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022717836A50, 16 bytes long.
 Data: < &#254;&#130; '           > 88 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022717836870, 16 bytes long.
 Data: <`&#254;&#130; '           > 60 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022717837130, 16 bytes long.
 Data: <8&#254;&#130; '           > 38 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227178304E0, 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 0x0000022717836820, 16 bytes long.
 Data: < &#254;&#130; '           > 10 FE 82 17 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002271782FE10, 320 bytes long.
 Data: < h&#131; '   &#224; &#131; '   > 20 68 83 17 27 02 00 00 E0 04 83 17 27 02 00 00 
{276} normal block at 0x0000022717837040, 16 bytes long.
 Data: <&#176;v&#131; '           > B0 76 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022717837270, 16 bytes long.
 Data: < v&#131; '           > 88 76 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000227178307E0, 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 0x00000227178372C0, 16 bytes long.
 Data: <`v&#131; '           > 60 76 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022717830B40, 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 0x0000022717836C80, 16 bytes long.
 Data: <&#168;u&#131; '           > A8 75 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022717837310, 16 bytes long.
 Data: < u&#131; '           > 80 75 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022717836EB0, 16 bytes long.
 Data: <Xu&#131; '           > 58 75 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022717836910, 16 bytes long.
 Data: <0u&#131; '           > 30 75 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022717836DC0, 16 bytes long.
 Data: < u&#131; '           > 08 75 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022717836690, 16 bytes long.
 Data: <&#224;t&#131; '           > E0 74 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022717837220, 16 bytes long.
 Data: <`W&#131; '           > 60 57 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022717835760, 40 bytes long.
 Data: < r&#131; '    va '   > 20 72 83 17 27 02 00 00 90 76 61 19 27 02 00 00 
{262} normal block at 0x00000227178368C0, 16 bytes long.
 Data: <&#192;t&#131; '           > C0 74 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022717836FF0, 16 bytes long.
 Data: < t&#131; '           > 98 74 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022717830300, 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 0x0000022717836B90, 16 bytes long.
 Data: <pt&#131; '           > 70 74 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022717837470, 992 bytes long.
 Data: < k&#131; '     &#131; '   > 90 6B 83 17 27 02 00 00 00 03 83 17 27 02 00 00 
{94} normal block at 0x0000022717830900, 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 0x000002271782EA30, 16 bytes long.
 Data: <&#224;Z&#131; '           > E0 5A 83 17 27 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022717835AE0, 40 bytes long.
 Data: <0&#234;&#130; '    	&#131; '   > 30 EA 82 17 27 02 00 00 00 09 83 17 27 02 00 00 
{71} normal block at 0x000002271782DCC0, 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 0x000002271782DD60, 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 0x000002271782DC70, 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 0x000002271782DE00, 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 0x000002271782E1C0, 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 0x000002271782DDB0, 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 0x000002271782E5D0, 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 0x000002271782E350, 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 0x000002271782E850, 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 0x000002271782E760, 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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