Task 38659149

Name test_1249-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4130_0
Workunit 31602702
Created 24 Oct 2026, 13:17:13 UTC
Sent 24 Oct 2026, 14:43:45 UTC
Report deadline 29 Oct 2026, 14:43:45 UTC
Received 24 Oct 2026, 15:23:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 32 min 48 sec
CPU time 31 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.52 MB
Peak swap size 3.54 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:50:52 (11140): wrapper (7.9.26016): starting
22:50:52 (11140): 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
22:50:54 (11140): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:50:54 (11140): 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 'D:\ProgramData\BOINC\slots\0\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 'D:\ProgramData\BOINC\slots\0\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
23:22:43 (11140): C:/Windows/system32/cmd.exe exited; CPU time 1911.171875
23:22:43 (11140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 24732869 bytes.
Dumping objects ->
{3835056} normal block at 0x00000178841797E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x000001788417A030, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x000001788417A180, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x00000178841798C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x00000178825BB130, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x000001788411D3B0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x00000178825B9650, 200 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) : {3834967} normal block at 0x00000178825B6360, 8 bytes long.
 Data: <  Y&#130;x   > 00 00 59 82 78 01 00 00 
{3834466} normal block at 0x00000178825B8BB0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000178825B6270, 8 bytes long.
 Data: <&#160;&#170; &#132;x   > A0 AA 0A 84 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000178825C3E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000178825A5B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000178825C5330, 16 bytes long.
 Data: <&#232;`\&#130;x           > E8 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000178825C52E0, 16 bytes long.
 Data: <&#192;`\&#130;x           > C0 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000178825BDE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000178825C5150, 16 bytes long.
 Data: < `\&#130;x           > 98 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000178825C5830, 16 bytes long.
 Data: <p`\&#130;x           > 70 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000178825C5920, 16 bytes long.
 Data: <H`\&#130;x           > 48 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000178825C4D90, 16 bytes long.
 Data: < `\&#130;x           > 20 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000178825BB050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000178825C5100, 16 bytes long.
 Data: < ZZ&#130;x           > 98 5A 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000178825BDC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000178825C4F20, 16 bytes long.
 Data: <pZZ&#130;x           > 70 5A 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000178825C5060, 16 bytes long.
 Data: <HZZ&#130;x           > 48 5A 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000178825C5010, 16 bytes long.
 Data: < ZZ&#130;x           > 20 5A 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000178825C4E80, 16 bytes long.
 Data: <&#248;YZ&#130;x           > F8 59 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000178825C4CA0, 16 bytes long.
 Data: <&#208;YZ&#130;x           > D0 59 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000178825C4C50, 16 bytes long.
 Data: <&#168;YZ&#130;x           > A8 59 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000178825BDB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000178825C55B0, 16 bytes long.
 Data: < YZ&#130;x           > 80 59 5A 82 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000178825A5980, 320 bytes long.
 Data: <&#176;U\&#130;x    &#219;[&#130;x   > B0 55 5C 82 78 01 00 00 10 DB 5B 82 78 01 00 00 
{267} normal block at 0x00000178825C51F0, 16 bytes long.
 Data: < `\&#130;x           > 00 60 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000178825C5290, 16 bytes long.
 Data: <&#216;_\&#130;x           > D8 5F 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000178825BD150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000178825C51A0, 16 bytes long.
 Data: <&#176;_\&#130;x           > B0 5F 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000178825BD6F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000178825C5380, 16 bytes long.
 Data: <&#248;^\&#130;x           > F8 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000178825C4E30, 16 bytes long.
 Data: <&#208;^\&#130;x           > D0 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000178825C5740, 16 bytes long.
 Data: <&#168;^\&#130;x           > A8 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000178825C5560, 16 bytes long.
 Data: < ^\&#130;x           > 80 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000178825C5240, 16 bytes long.
 Data: <X^\&#130;x           > 58 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000178825C58D0, 16 bytes long.
 Data: <0^\&#130;x           > 30 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000178825C5470, 16 bytes long.
 Data: <&#224;&#175;[&#130;x           > E0 AF 5B 82 78 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000178825BAFE0, 40 bytes long.
 Data: <pT\&#130;x   &#176;&#211; &#132;x   > 70 54 5C 82 78 01 00 00 B0 D3 11 84 78 01 00 00 
{253} normal block at 0x00000178825C5970, 16 bytes long.
 Data: < ^\&#130;x           > 10 5E 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000178825C4DE0, 16 bytes long.
 Data: <&#232;]\&#130;x           > E8 5D 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000178825BD690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000178825C4FC0, 16 bytes long.
 Data: <&#192;]\&#130;x           > C0 5D 5C 82 78 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000178825C5DC0, 992 bytes long.
 Data: <&#192;O\&#130;x    &#214;[&#130;x   > C0 4F 5C 82 78 01 00 00 90 D6 5B 82 78 01 00 00 
{85} normal block at 0x00000178825BDA50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000178825B71C0, 16 bytes long.
 Data: < &#182;[&#130;x           > 00 B6 5B 82 78 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000178825BB600, 40 bytes long.
 Data: <&#192;q[&#130;x   P&#218;[&#130;x   > C0 71 5B 82 78 01 00 00 50 DA 5B 82 78 01 00 00 
{62} normal block at 0x00000178825B6590, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000178825B69A0, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000178825B7030, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000178825B7080, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000178825B6FE0, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000178825B6900, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000178825B6D60, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000178825B6C20, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000178825B6CC0, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000178825B6D10, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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