Task 38652853

Name test_661-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND9669_0
Workunit 31596938
Created 24 Oct 2026, 4:37:58 UTC
Sent 24 Oct 2026, 4:46:39 UTC
Report deadline 29 Oct 2026, 4:46:39 UTC
Received 24 Oct 2026, 5:15:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648901
Run time 28 min 27 sec
CPU time 25 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,670.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.37 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:48:07 (7176): wrapper (7.9.26016): starting
22:48:07 (7176): 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
22:48:08 (7176): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:48:08 (7176): 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\11\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\11\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
23:15:14 (7176): C:/Windows/system32/cmd.exe exited; CPU time 1532.078125
23:15:14 (7176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 30461611 bytes.
Dumping objects ->
{3835198} normal block at 0x000001823638B2A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000001823638A510, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001823638AD60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835165} normal block at 0x00000182344F5320, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000182344F5390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835123} normal block at 0x0000018236378CC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835110} normal block at 0x00000182344ED570, 8 bytes long.
 Data: <  &#161;4&#130;   > 00 00 A1 34 82 01 00 00 
{3833959} normal block at 0x00000182344ED9D0, 8 bytes long.
 Data: <0GO4&#130;   > 30 47 4F 34 82 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000182344F1470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000182344E63E0, 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 0x00000182344F67A0, 16 bytes long.
 Data: <X\O4&#130;           > 58 5C 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000182344F69D0, 16 bytes long.
 Data: <0\O4&#130;           > 30 5C 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000182344EFB80, 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 0x00000182344F6160, 16 bytes long.
 Data: < \O4&#130;           > 08 5C 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000182344F6070, 16 bytes long.
 Data: <&#224;[O4&#130;           > E0 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000182344F6930, 16 bytes long.
 Data: <&#184;[O4&#130;           > B8 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000182344F62F0, 16 bytes long.
 Data: < [O4&#130;           > 90 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000182344F5400, 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 0x00000182344F6750, 16 bytes long.
 Data: <&#200;&#246;M4&#130;           > C8 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000182344EFB20, 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 0x00000182344F6110, 16 bytes long.
 Data: <&#160;&#246;M4&#130;           > A0 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000182344F6840, 16 bytes long.
 Data: <x&#246;M4&#130;           > 78 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000182344F6AC0, 16 bytes long.
 Data: <P&#246;M4&#130;           > 50 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000182344F5EE0, 16 bytes long.
 Data: <(&#246;M4&#130;           > 28 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000182344F5E40, 16 bytes long.
 Data: < &#246;M4&#130;           > 00 F6 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000182344F68E0, 16 bytes long.
 Data: <&#216;&#245;M4&#130;           > D8 F5 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000182344EF400, 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 0x00000182344F61B0, 16 bytes long.
 Data: <&#176;&#245;M4&#130;           > B0 F5 4D 34 82 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000182344DF5B0, 320 bytes long.
 Data: <&#176;aO4&#130;    &#244;N4&#130;   > B0 61 4F 34 82 01 00 00 00 F4 4E 34 82 01 00 00 
{275} normal block at 0x00000182344F67F0, 16 bytes long.
 Data: <p[O4&#130;           > 70 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000182344F6610, 16 bytes long.
 Data: <H[O4&#130;           > 48 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000182344EFAC0, 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 0x00000182344F6C00, 16 bytes long.
 Data: < [O4&#130;           > 20 5B 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000182344EF5E0, 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 0x00000182344F6980, 16 bytes long.
 Data: <hZO4&#130;           > 68 5A 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000182344F6020, 16 bytes long.
 Data: <@ZO4&#130;           > 40 5A 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000182344F65C0, 16 bytes long.
 Data: < ZO4&#130;           > 18 5A 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000182344F6CA0, 16 bytes long.
 Data: <&#240;YO4&#130;           > F0 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000182344F6570, 16 bytes long.
 Data: <&#200;YO4&#130;           > C8 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000182344ED980, 16 bytes long.
 Data: <&#160;YO4&#130;           > A0 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000182344EE290, 16 bytes long.
 Data: <pMO4&#130;           > 70 4D 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000182344F4D70, 40 bytes long.
 Data: < &#226;N4&#130;   &#192;&#140;76&#130;   > 90 E2 4E 34 82 01 00 00 C0 8C 37 36 82 01 00 00 
{261} normal block at 0x00000182344ED8E0, 16 bytes long.
 Data: < YO4&#130;           > 80 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000182344EE060, 16 bytes long.
 Data: <XYO4&#130;           > 58 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000182344EFA60, 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 0x00000182344EDFC0, 16 bytes long.
 Data: <0YO4&#130;           > 30 59 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000182344F5930, 992 bytes long.
 Data: <&#192;&#223;N4&#130;   `&#250;N4&#130;   > C0 DF 4E 34 82 01 00 00 60 FA 4E 34 82 01 00 00 
{93} normal block at 0x00000182344EFCA0, 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 0x00000182344EDC00, 16 bytes long.
 Data: <&#192;NO4&#130;           > C0 4E 4F 34 82 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000182344F4EC0, 40 bytes long.
 Data: < &#220;N4&#130;   &#160;&#252;N4&#130;   > 00 DC 4E 34 82 01 00 00 A0 FC 4E 34 82 01 00 00 
{70} normal block at 0x00000182344EE0B0, 16 bytes long.
 Data: < &#234; =&#247;           > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000182344ED840, 16 bytes long.
 Data: <@&#233; =&#247;           > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000182344EDF70, 16 bytes long.
 Data: <&#248;W&#138;=&#247;           > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000182344ED7F0, 16 bytes long.
 Data: <&#216;W&#138;=&#247;           > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000182344EDED0, 16 bytes long.
 Data: <P &#138;=&#247;           > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000182344EDBB0, 16 bytes long.
 Data: <0 &#138;=&#247;           > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000182344EDCA0, 16 bytes long.
 Data: <&#224; &#138;=&#247;           > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000182344EE100, 16 bytes long.
 Data: <  &#138;=&#247;           > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000182344ED5C0, 16 bytes long.
 Data: <p &#138;=&#247;           > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000182344ED7A0, 16 bytes long.
 Data: < &#192; =&#247;           > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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