Task 38670029

Name test_833-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1803_0
Workunit 31612314
Created 25 Oct 2026, 16:16:50 UTC
Sent 25 Oct 2026, 16:16:58 UTC
Report deadline 30 Oct 2026, 16:16:58 UTC
Received 25 Oct 2026, 16:52:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 42 sec
CPU time 32 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.29 GB
Peak swap size 6.87 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:18:48 (17132): wrapper (7.9.26016): starting
11:18:48 (17132): 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
11:18:49 (17132): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:18:49 (17132): 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\2\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\2\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
11:51:31 (17132): C:/Windows/system32/cmd.exe exited; CPU time 1961.515625
11:51:31 (17132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26185339 bytes.
Dumping objects ->
{3835250} normal block at 0x00000149CC96E3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x00000149CC96DCB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000149CC96E340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x00000149CAD45060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000149CAD44EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x00000149CC9B6FB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x00000149CC9CF3A0, 102 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) : {3835161} normal block at 0x00000149CAD3E360, 8 bytes long.
 Data: <  &#208;&#202;I   > 00 00 D0 CA 49 01 00 00 
{3834554} normal block at 0x00000149CC9CECC0, 102 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 0x00000149CAD3E270, 8 bytes long.
 Data: <&#240;T&#161;&#204;I   > F0 54 A1 CC 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000149CAD41B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000149CAD36770, 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 0x00000149CAD45B10, 16 bytes long.
 Data: <&#184;l&#212;&#202;I           > B8 6C D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000149CAD463D0, 16 bytes long.
 Data: < l&#212;&#202;I           > 90 6C D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000149CAD3FDB0, 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 0x00000149CAD46290, 16 bytes long.
 Data: <hl&#212;&#202;I           > 68 6C D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149CAD45CF0, 16 bytes long.
 Data: <@l&#212;&#202;I           > 40 6C D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000149CAD46380, 16 bytes long.
 Data: < l&#212;&#202;I           > 18 6C D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000149CAD46330, 16 bytes long.
 Data: <&#240;k&#212;&#202;I           > F0 6B D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000149CAD453E0, 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 0x00000149CAD46240, 16 bytes long.
 Data: <&#200;&#246;&#210;&#202;I           > C8 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000149CAD3FED0, 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 0x00000149CAD46560, 16 bytes long.
 Data: <&#160;&#246;&#210;&#202;I           > A0 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149CAD467E0, 16 bytes long.
 Data: <x&#246;&#210;&#202;I           > 78 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000149CAD461F0, 16 bytes long.
 Data: <P&#246;&#210;&#202;I           > 50 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149CAD46510, 16 bytes long.
 Data: <(&#246;&#210;&#202;I           > 28 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000149CAD461A0, 16 bytes long.
 Data: < &#246;&#210;&#202;I           > 00 F6 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000149CAD45F20, 16 bytes long.
 Data: <&#216;&#245;&#210;&#202;I           > D8 F5 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149CAD3F990, 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 0x00000149CAD465B0, 16 bytes long.
 Data: <&#176;&#245;&#210;&#202;I           > B0 F5 D2 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149CAD2F5B0, 320 bytes long.
 Data: <&#176;e&#212;&#202;I    &#249;&#211;&#202;I   > B0 65 D4 CA 49 01 00 00 90 F9 D3 CA 49 01 00 00 
{276} normal block at 0x00000149CAD45C00, 16 bytes long.
 Data: <&#208;k&#212;&#202;I           > D0 6B D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149CAD46150, 16 bytes long.
 Data: <&#168;k&#212;&#202;I           > A8 6B D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000149CAD3FB10, 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 0x00000149CAD45A70, 16 bytes long.
 Data: < k&#212;&#202;I           > 80 6B D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149CAD3F630, 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 0x00000149CAD460B0, 16 bytes long.
 Data: <&#200;j&#212;&#202;I           > C8 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149CAD46010, 16 bytes long.
 Data: <&#160;j&#212;&#202;I           > A0 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149CAD46060, 16 bytes long.
 Data: <xj&#212;&#202;I           > 78 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000149CAD45D90, 16 bytes long.
 Data: <Pj&#212;&#202;I           > 50 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000149CAD464C0, 16 bytes long.
 Data: <(j&#212;&#202;I           > 28 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000149CAD462E0, 16 bytes long.
 Data: < j&#212;&#202;I           > 00 6A D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149CAD46100, 16 bytes long.
 Data: <PT&#212;&#202;I           > 50 54 D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000149CAD45450, 40 bytes long.
 Data: < a&#212;&#202;I   &#176;o&#155;&#204;I   > 00 61 D4 CA 49 01 00 00 B0 6F 9B CC 49 01 00 00 
{262} normal block at 0x00000149CAD45ED0, 16 bytes long.
 Data: <&#224;i&#212;&#202;I           > E0 69 D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149CAD46420, 16 bytes long.
 Data: <&#184;i&#212;&#202;I           > B8 69 D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000149CAD3FAB0, 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 0x00000149CAD45CA0, 16 bytes long.
 Data: < i&#212;&#202;I           > 90 69 D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149CAD46990, 992 bytes long.
 Data: <&#160;\&#212;&#202;I   &#176;&#250;&#211;&#202;I   > A0 5C D4 CA 49 01 00 00 B0 FA D3 CA 49 01 00 00 
{94} normal block at 0x00000149CAD3FFF0, 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 0x00000149CAD3DC80, 16 bytes long.
 Data: <pS&#212;&#202;I           > 70 53 D4 CA 49 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000149CAD45370, 40 bytes long.
 Data: < &#220;&#211;&#202;I   &#240;&#255;&#211;&#202;I   > 80 DC D3 CA 49 01 00 00 F0 FF D3 CA 49 01 00 00 
{71} normal block at 0x00000149CAD3DB90, 16 bytes long.
 Data: < &#234;&#240;&#228;&#247;           > 80 EA F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000149CAD3DAA0, 16 bytes long.
 Data: <@&#233;&#240;&#228;&#247;           > 40 E9 F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000149CAD3D910, 16 bytes long.
 Data: <&#248;W&#237;&#228;&#247;           > F8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000149CAD3D5F0, 16 bytes long.
 Data: <&#216;W&#237;&#228;&#247;           > D8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000149CAD3E220, 16 bytes long.
 Data: <P &#237;&#228;&#247;           > 50 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000149CAD3D8C0, 16 bytes long.
 Data: <0 &#237;&#228;&#247;           > 30 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000149CAD3DF50, 16 bytes long.
 Data: <&#224; &#237;&#228;&#247;           > E0 02 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000149CAD3DA00, 16 bytes long.
 Data: <  &#237;&#228;&#247;           > 10 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000149CAD3DAF0, 16 bytes long.
 Data: <p &#237;&#228;&#247;           > 70 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000149CAD3D870, 16 bytes long.
 Data: < &#192;&#235;&#228;&#247;           > 18 C0 EB E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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