Task 38685025

Name test_241-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7909_0
Workunit 31626514
Created 27 Oct 2026, 19:03:07 UTC
Sent 27 Oct 2026, 19:03:11 UTC
Report deadline 1 Nov 2026, 19:03:11 UTC
Received 27 Oct 2026, 19:42:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590887
Run time 38 min 25 sec
CPU time 34 min 13 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 675.06 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:05:32 (193972): wrapper (7.9.26016): starting
14:05:32 (193972): 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
14:05:34 (193972): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:05:34 (193972): 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
14:41:52 (193972): C:/Windows/system32/cmd.exe exited; CPU time 2053.265625
14:41:52 (193972): 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: 35288545 bytes.
Dumping objects ->
{3835286} normal block at 0x000002072AF5E900, 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 0x000002072AF5E5F0, 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 0x000002072AF5E7B0, 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 0x0000020729355DF0, 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 0x0000020729355D80, 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 0x000002072AFA8D10, 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 0x00000207293BB450, 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 0x000002072934E260, 8 bytes long.
 Data: <  u)    > 00 00 75 29 07 02 00 00 
{3834570} normal block at 0x00000207293BB1E0, 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 0x000002072934DCC0, 8 bytes long.
 Data: <@&#234;B)    > 40 EA 42 29 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020729352910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000207293473B0, 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 0x0000020729357220, 16 bytes long.
 Data: < w5)            > 98 77 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207293573B0, 16 bytes long.
 Data: <pw5)            > 70 77 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020729350060, 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 0x00000207293571D0, 16 bytes long.
 Data: <Hw5)            > 48 77 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207293567D0, 16 bytes long.
 Data: < w5)            > 20 77 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020729357310, 16 bytes long.
 Data: <&#248;v5)            > F8 76 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020729356820, 16 bytes long.
 Data: <&#208;v5)            > D0 76 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207293557D0, 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 0x0000020729356AF0, 16 bytes long.
 Data: <(&#255;4)            > 28 FF 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020729350CC0, 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 0x00000207293570E0, 16 bytes long.
 Data: < &#255;4)            > 00 FF 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207293569B0, 16 bytes long.
 Data: <&#216;&#254;4)            > D8 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020729357400, 16 bytes long.
 Data: <&#176;&#254;4)            > B0 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020729356F00, 16 bytes long.
 Data: < &#254;4)            > 88 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020729357090, 16 bytes long.
 Data: <`&#254;4)            > 60 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020729356780, 16 bytes long.
 Data: <8&#254;4)            > 38 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020729350F00, 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 0x0000020729356EB0, 16 bytes long.
 Data: < &#254;4)            > 10 FE 34 29 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002072934FE10, 320 bytes long.
 Data: <&#176;n5)      5)    > B0 6E 35 29 07 02 00 00 00 0F 35 29 07 02 00 00 
{276} normal block at 0x0000020729356730, 16 bytes long.
 Data: <&#176;v5)            > B0 76 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020729356960, 16 bytes long.
 Data: < v5)            > 88 76 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020729350BA0, 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 0x0000020729356D20, 16 bytes long.
 Data: <`v5)            > 60 76 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020729350840, 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 0x0000020729356E60, 16 bytes long.
 Data: <&#168;u5)            > A8 75 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020729357040, 16 bytes long.
 Data: < u5)            > 80 75 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020729356FF0, 16 bytes long.
 Data: <Xu5)            > 58 75 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020729356AA0, 16 bytes long.
 Data: <0u5)            > 30 75 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020729356B90, 16 bytes long.
 Data: < u5)            > 08 75 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020729356D70, 16 bytes long.
 Data: <&#224;t5)            > E0 74 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020729356910, 16 bytes long.
 Data: <`W5)            > 60 57 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020729355760, 40 bytes long.
 Data: < i5)      &#250;*    > 10 69 35 29 07 02 00 00 10 8D FA 2A 07 02 00 00 
{262} normal block at 0x0000020729357180, 16 bytes long.
 Data: <&#192;t5)            > C0 74 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020729356A50, 16 bytes long.
 Data: < t5)            > 98 74 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020729350900, 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 0x0000020729356FA0, 16 bytes long.
 Data: <pt5)            > 70 74 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020729357470, 992 bytes long.
 Data: <&#160;o5)     	5)    > A0 6F 35 29 07 02 00 00 00 09 35 29 07 02 00 00 
{94} normal block at 0x0000020729350420, 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 0x000002072934DC20, 16 bytes long.
 Data: <@X5)            > 40 58 35 29 07 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020729355840, 40 bytes long.
 Data: < &#220;4)      5)    > 20 DC 34 29 07 02 00 00 20 04 35 29 07 02 00 00 
{71} normal block at 0x000002072934DD60, 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 0x000002072934E2B0, 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 0x000002072934DB80, 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 0x000002072934DF40, 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 0x000002072934E990, 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 0x000002072934E8F0, 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 0x000002072934E710, 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 0x000002072934DC70, 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 0x000002072934DD10, 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 0x000002072934E120, 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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