Task 38680446

Name test_705-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2737_0
Workunit 31622167
Created 26 Oct 2026, 23:59:30 UTC
Sent 26 Oct 2026, 23:59:37 UTC
Report deadline 31 Oct 2026, 23:59:37 UTC
Received 27 Oct 2026, 0:32:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 30 min 41 sec
CPU time 28 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.66 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:00:59 (16248): wrapper (7.9.26016): starting
00:00:59 (16248): 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
00:01:00 (16248): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:01:00 (16248): 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\13\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\13\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
00:30:55 (16248): C:/Windows/system32/cmd.exe exited; CPU time 1697.953125
00:30:55 (16248): 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: 31739155 bytes.
Dumping objects ->
{3835253} normal block at 0x00000227674BCEF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000227656D7C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000227656D7980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x00000227656D7BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000227656D7910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002276741FD70, 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) : {3835165} normal block at 0x00000227656D11D0, 8 bytes long.
 Data: <  &#184;e'   > 00 00 B8 65 27 02 00 00 
{3833961} normal block at 0x00000227656D0E60, 8 bytes long.
 Data: <p&#233;(g'   > 70 E9 28 67 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000227656D2140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000227656BF730, 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 0x00000227656D86F0, 16 bytes long.
 Data: <8&#130;me'           > 38 82 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000227656D8AB0, 16 bytes long.
 Data: < &#130;me'           > 10 82 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000227656CFC60, 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 0x00000227656D8F10, 16 bytes long.
 Data: <&#232; me'           > E8 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000227656D8BF0, 16 bytes long.
 Data: <&#192; me'           > C0 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000227656D9280, 16 bytes long.
 Data: <  me'           > 98 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000227656D86A0, 16 bytes long.
 Data: <p me'           > 70 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000227656D77C0, 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 0x00000227656D8650, 16 bytes long.
 Data: <&#184; le'           > B8 9D 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000227656D0620, 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 0x00000227656D8380, 16 bytes long.
 Data: <  le'           > 90 9D 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000227656D83D0, 16 bytes long.
 Data: <h le'           > 68 9D 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000227656D8880, 16 bytes long.
 Data: <@ le'           > 40 9D 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000227656D9230, 16 bytes long.
 Data: <  le'           > 18 9D 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000227656D8D80, 16 bytes long.
 Data: <&#240;&#156;le'           > F0 9C 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000227656D8830, 16 bytes long.
 Data: <&#200;&#156;le'           > C8 9C 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000227656D0500, 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 0x00000227656D85B0, 16 bytes long.
 Data: <&#160;&#156;le'           > A0 9C 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000227656C9CA0, 320 bytes long.
 Data: <&#176;&#133;me'     me'   > B0 85 6D 65 27 02 00 00 00 05 6D 65 27 02 00 00 
{276} normal block at 0x00000227656D9000, 16 bytes long.
 Data: <P me'           > 50 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000227656D8C90, 16 bytes long.
 Data: <( me'           > 28 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000227656CFD80, 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 0x00000227656D8560, 16 bytes long.
 Data: <  me'           > 00 81 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000227656D05C0, 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 0x00000227656D8600, 16 bytes long.
 Data: <H me'           > 48 80 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000227656D8510, 16 bytes long.
 Data: <  me'           > 20 80 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000227656D8790, 16 bytes long.
 Data: <&#248; me'           > F8 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000227656D8BA0, 16 bytes long.
 Data: <&#208; me'           > D0 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000227656D1180, 16 bytes long.
 Data: <&#168; me'           > A8 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000227656D0780, 16 bytes long.
 Data: <  me'           > 80 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000227656D1040, 16 bytes long.
 Data: <p}me'           > 70 7D 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000227656D7D70, 40 bytes long.
 Data: <@ me'   p&#253;Ag'   > 40 10 6D 65 27 02 00 00 70 FD 41 67 27 02 00 00 
{262} normal block at 0x00000227656D1310, 16 bytes long.
 Data: <` me'           > 60 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000227656D0F50, 16 bytes long.
 Data: <8 me'           > 38 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000227656D03E0, 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 0x00000227656D0AA0, 16 bytes long.
 Data: <  me'           > 10 7F 6D 65 27 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000227656D7F10, 992 bytes long.
 Data: <&#160; me'   &#224; me'   > A0 0A 6D 65 27 02 00 00 E0 03 6D 65 27 02 00 00 
{94} normal block at 0x00000227656CFA80, 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 0x00000227656D0C80, 16 bytes long.
 Data: <` le'           > 60 05 6C 65 27 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000227656C0560, 40 bytes long.
 Data: <  me'    &#250;le'   > 80 0C 6D 65 27 02 00 00 80 FA 6C 65 27 02 00 00 
{71} normal block at 0x00000227656D1400, 16 bytes long.
 Data: < &#234;tx&#247;           > 80 EA 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000227656D1360, 16 bytes long.
 Data: <@&#233;tx&#247;           > 40 E9 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000227656D0D70, 16 bytes long.
 Data: <&#248;Wqx&#247;           > F8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000227656D0870, 16 bytes long.
 Data: <&#216;Wqx&#247;           > D8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000227656D1540, 16 bytes long.
 Data: <P qx&#247;           > 50 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000227656D14A0, 16 bytes long.
 Data: <0 qx&#247;           > 30 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000227656D0BE0, 16 bytes long.
 Data: <&#224; qx&#247;           > E0 02 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000227656D0910, 16 bytes long.
 Data: <  qx&#247;           > 10 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000227656D12C0, 16 bytes long.
 Data: <p qx&#247;           > 70 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000227656D1680, 16 bytes long.
 Data: < &#192;ox&#247;           > 18 C0 6F 78 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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