Task 38659704

Name test_742-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8535_0
Workunit 31603244
Created 24 Oct 2026, 13:34:18 UTC
Sent 24 Oct 2026, 13:36:53 UTC
Report deadline 29 Oct 2026, 13:36:53 UTC
Received 24 Oct 2026, 15:15:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648742
Run time 27 min 7 sec
CPU time 24 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.51 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:41:40 (27444): wrapper (7.9.26016): starting
15:41:40 (27444): 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
15:41:42 (27444): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:41:42 (27444): 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\3\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\3\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835360} normal block at 0x00000147E591F4B0, 8 bytes long.
 Data: <    G   > 00 00 8C E5 47 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000147E590E730, 1080 bytes long.
 Data: <x               > 78 15 00 00 CD CD CD CD C8 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000147E591C2E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
16:54:40 (3204): wrapper (7.9.26016): starting
16:54:40 (3204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d&#130;j&#133;.
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
17:15:11 (3204): C:/Windows/system32/cmd.exe exited; CPU time 1157.359375
17:15:11 (3204): 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: 19241908 bytes.
Dumping objects ->
{1796} normal block at 0x000002BAE2DD8700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1785} normal block at 0x000002BAE2DD8B60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1774} normal block at 0x000002BAE2DD87E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1763} normal block at 0x000002BAE2DD8CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1752} normal block at 0x000002BAE2DD8620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1721} normal block at 0x000002BAE2DC3D20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1710} normal block at 0x000002BAE2DC3C70, 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) : {1707} normal block at 0x000002BAE2DDA250, 8 bytes long.
 Data: <        > 00 00 D9 E2 BA 02 00 00 
{993} normal block at 0x000002BAE2DC3830, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{304} normal block at 0x000002BAE2DD9990, 8 bytes long.
 Data: <        > D0 A7 DD E2 BA 02 00 00 
{295} normal block at 0x000002BAE2DC6810, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002BAE2DD9B70, 16 bytes long.
 Data: <                > D8 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002BAE2DD9E90, 16 bytes long.
 Data: <                > B0 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BAE2DD3820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002BAE2DD9580, 16 bytes long.
 Data: <                > 88 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BAE2DD9850, 16 bytes long.
 Data: <`               > 60 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BAE2DD9800, 16 bytes long.
 Data: <8               > 38 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BAE2DD9B20, 16 bytes long.
 Data: <                > 10 A6 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BAE2DD8850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002BAE2DD98F0, 16 bytes long.
 Data: <(5              > 28 35 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BAE2DD4000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002BAE2DD9530, 16 bytes long.
 Data: < 5              > 00 35 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BAE2DD99E0, 16 bytes long.
 Data: < 4              > D8 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BAE2DD97B0, 16 bytes long.
 Data: < 4              > B0 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BAE2DD9F80, 16 bytes long.
 Data: < 4              > 88 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BAE2DD9AD0, 16 bytes long.
 Data: <`4              > 60 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BAE2DD98A0, 16 bytes long.
 Data: <84              > 38 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BAE2DD3160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002BAE2DD9490, 16 bytes long.
 Data: < 4              > 10 34 DC E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BAE2DC3410, 320 bytes long.
 Data: <        `1      > 90 94 DD E2 BA 02 00 00 60 31 DD E2 BA 02 00 00 
{274} normal block at 0x000002BAE2DD9620, 16 bytes long.
 Data: <                > F0 A5 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BAE2DDA0C0, 16 bytes long.
 Data: <                > C8 A5 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BAE2DD32E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002BAE2DD9760, 16 bytes long.
 Data: <                > A0 A5 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BAE2DD3220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002BAE2DD93F0, 16 bytes long.
 Data: <                > E8 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BAE2DDA1B0, 16 bytes long.
 Data: <                > C0 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BAE2DD9710, 16 bytes long.
 Data: <                > 98 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BAE2DD9E40, 16 bytes long.
 Data: <p               > 70 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BAE2DD9440, 16 bytes long.
 Data: <H               > 48 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BAE2DDA340, 16 bytes long.
 Data: <                > 20 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BAE2DD96C0, 16 bytes long.
 Data: <                > 90 86 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BAE2DD8690, 40 bytes long.
 Data: <         =      > C0 96 DD E2 BA 02 00 00 20 3D DC E2 BA 02 00 00 
{260} normal block at 0x000002BAE2DDA2F0, 16 bytes long.
 Data: <                > 00 A4 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BAE2DD95D0, 16 bytes long.
 Data: <                > D8 A3 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BAE2DD3FA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002BAE2DD9A80, 16 bytes long.
 Data: <                > B0 A3 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BAE2DDA3B0, 992 bytes long.
 Data: <         ?      > 80 9A DD E2 BA 02 00 00 A0 3F DD E2 BA 02 00 00 
{92} normal block at 0x000002BAE2DD3E20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002BAE2DCF280, 16 bytes long.
 Data: <                > B0 85 DD E2 BA 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002BAE2DD85B0, 40 bytes long.
 Data: <         >      > 80 F2 DC E2 BA 02 00 00 20 3E DD E2 BA 02 00 00 
{69} normal block at 0x000002BAE2DCFFF0, 16 bytes long.
 Data: <   )            > 80 EA CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BAE2DCF2D0, 16 bytes long.
 Data: <@  )            > 40 E9 CC 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BAE2DCFCD0, 16 bytes long.
 Data: < W )            > F8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BAE2DCFAF0, 16 bytes long.
 Data: < W )            > D8 57 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BAE2DCF140, 16 bytes long.
 Data: <P  )            > 50 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BAE2DCFC80, 16 bytes long.
 Data: <0  )            > 30 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BAE2DCFAA0, 16 bytes long.
 Data: <   )            > E0 02 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BAE2DCFD20, 16 bytes long.
 Data: <   )            > 10 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BAE2DCF500, 16 bytes long.
 Data: <p  )            > 70 04 C9 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BAE2DCF870, 16 bytes long.
 Data: <   )            > 18 C0 C7 29 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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