Task 38685242

Name test_140-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6553_0
Workunit 31626719
Created 27 Oct 2026, 20:08:03 UTC
Sent 27 Oct 2026, 20:08:10 UTC
Report deadline 1 Nov 2026, 20:08:10 UTC
Received 27 Oct 2026, 20:55:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654255
Run time 39 min 16 sec
CPU time 36 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.87 MB
Peak swap size 5.33 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:12:24 (14204): wrapper (7.9.26016): starting
21:12:24 (14204): 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
21:12:26 (14204): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:12:26 (14204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\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\1\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) : {3835208} normal block at 0x000002258E84E0D0, 8 bytes long.
 Data: <    %   > 00 00 81 8E 25 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000022590524610, 1080 bytes long.
 Data: <        H       > E0 92 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002258E852120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:41:40 (37484): wrapper (7.9.26016): starting
21:41:40 (37484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non &#138; riconosciuto come comando interno o esterno,
 un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\1\tmp gi&#133; esistente.
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
21:54:57 (37484): C:/Windows/system32/cmd.exe exited; CPU time 753.203125
21:54:57 (37484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 20830757 bytes.
Dumping objects ->
{1638} normal block at 0x0000021082695360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1627} normal block at 0x0000021082695830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1616} normal block at 0x0000021082695600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1605} normal block at 0x00000210826954B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1594} normal block at 0x0000021082695440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1563} normal block at 0x000002108267F270, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1552} normal block at 0x000002108267C500, 85 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) : {1549} normal block at 0x0000021082695E50, 8 bytes long.
 Data: <        > 00 00 A8 82 10 02 00 00 
{920} normal block at 0x000002108267BBA0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{310} normal block at 0x0000021082696800, 8 bytes long.
 Data: < qi     > 90 71 69 82 10 02 00 00 
{301} normal block at 0x0000021082687C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000021082696AD0, 16 bytes long.
 Data: < pi             > 98 70 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021082696350, 16 bytes long.
 Data: <ppi             > 70 70 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002108268F770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000210826966C0, 16 bytes long.
 Data: <Hpi             > 48 70 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021082696300, 16 bytes long.
 Data: < pi             > 20 70 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000210826962B0, 16 bytes long.
 Data: < oi             > F8 6F 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021082695EA0, 16 bytes long.
 Data: < oi             > D0 6F 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210826953D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000021082696210, 16 bytes long.
 Data: <h h             > 68 95 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002108268FD70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000021082696760, 16 bytes long.
 Data: <@ h             > 40 95 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021082696580, 16 bytes long.
 Data: <  h             > 18 95 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021082696A80, 16 bytes long.
 Data: <  h             > F0 94 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210826960D0, 16 bytes long.
 Data: <  h             > C8 94 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210826967B0, 16 bytes long.
 Data: <  h             > A0 94 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021082696530, 16 bytes long.
 Data: <x h             > 78 94 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002108268FD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021082696030, 16 bytes long.
 Data: <P h             > 50 94 68 82 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021082689450, 320 bytes long.
 Data: <0`i       h     > 30 60 69 82 10 02 00 00 10 FD 68 82 10 02 00 00 
{280} normal block at 0x00000210826964E0, 16 bytes long.
 Data: < oi             > B0 6F 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210826968F0, 16 bytes long.
 Data: < oi             > 88 6F 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002108268FF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000021082696A30, 16 bytes long.
 Data: <`oi             > 60 6F 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210826905B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000210826961C0, 16 bytes long.
 Data: < ni             > A8 6E 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021082696990, 16 bytes long.
 Data: < ni             > 80 6E 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021082696170, 16 bytes long.
 Data: <Xni             > 58 6E 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021082696B20, 16 bytes long.
 Data: <0ni             > 30 6E 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210826969E0, 16 bytes long.
 Data: < ni             > 08 6E 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021082696490, 16 bytes long.
 Data: < mi             > E0 6D 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021082696440, 16 bytes long.
 Data: < Ri             > F0 52 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210826952F0, 40 bytes long.
 Data: <@di     p g     > 40 64 69 82 10 02 00 00 70 F2 67 82 10 02 00 00 
{266} normal block at 0x0000021082695E00, 16 bytes long.
 Data: < mi             > C0 6D 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210826968A0, 16 bytes long.
 Data: < mi             > 98 6D 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021082690550, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000021082695FE0, 16 bytes long.
 Data: <pmi             > 70 6D 69 82 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021082696D70, 992 bytes long.
 Data: < _i     P i     > E0 5F 69 82 10 02 00 00 50 05 69 82 10 02 00 00 
{98} normal block at 0x000002108268FFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002108268DDA0, 16 bytes long.
 Data: <  g             > 90 C4 67 82 10 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002108267C490, 40 bytes long.
 Data: <  h       h     > A0 DD 68 82 10 02 00 00 B0 FF 68 82 10 02 00 00 
{75} normal block at 0x000002108268E250, 16 bytes long.
 Data: <   -            > 80 EA A8 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002108268DB70, 16 bytes long.
 Data: <@  -            > 40 E9 A8 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002108268E160, 16 bytes long.
 Data: < W -            > F8 57 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002108268DDF0, 16 bytes long.
 Data: < W -            > D8 57 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002108268E2A0, 16 bytes long.
 Data: <P  -            > 50 04 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002108268D800, 16 bytes long.
 Data: <0  -            > 30 04 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002108268DEE0, 16 bytes long.
 Data: <   -            > E0 02 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002108268E520, 16 bytes long.
 Data: <   -            > 10 04 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002108268DD00, 16 bytes long.
 Data: <p  -            > 70 04 A5 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002108268E430, 16 bytes long.
 Data: <   -            > 18 C0 A3 2D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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