Task 38684148

Name test_141-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3776_0
Workunit 31625669
Created 27 Oct 2026, 14:54:34 UTC
Sent 27 Oct 2026, 14:54:38 UTC
Report deadline 1 Nov 2026, 14:54:38 UTC
Received 27 Oct 2026, 18:15:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 53 min 26 sec
CPU time 44 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.81 MB
Peak swap size 5.34 GB
Peak disk usage 4.44 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:02:24 (15512): wrapper (7.9.26016): starting
16:02:24 (15512): 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
16:02:26 (15512): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:02:26 (15512): 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\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) : {3835280} normal block at 0x000002631D859E20, 8 bytes long.
 Data: <    c   > 00 00 82 1D 63 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833988} normal block at 0x000002631F4E75B0, 1080 bytes long.
 Data: < y      |       > E4 79 00 00 CD CD CD CD 7C 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002631D864F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
18:33:54 (3900): wrapper (7.9.26016): starting
18:33:54 (3900): 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\1\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
19:14:50 (3900): C:/Windows/system32/cmd.exe exited; CPU time 2331.656250
19:14:50 (3900): 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: 64218771 bytes.
Dumping objects ->
{3850052} normal block at 0x00000240A72715D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850041} normal block at 0x00000240A7270ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850030} normal block at 0x00000240A7270B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850019} normal block at 0x00000240A7270DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850008} normal block at 0x00000240A7271560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849977} normal block at 0x00000240A73681E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849966} normal block at 0x00000240A73807E0, 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) : {3849963} normal block at 0x00000240A5839880, 8 bytes long.
 Data: <  |&#165;@   > 00 00 7C A5 40 02 00 00 
{3849306} normal block at 0x00000240A7380600, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848672} normal block at 0x00000240A583A3C0, 8 bytes long.
 Data: <0&#135;<&#167;@   > 30 87 3C A7 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000240A5844DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000240A5847FE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000240A5846320, 16 bytes long.
 Data: <&#184;v&#132;&#165;@           > B8 76 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000240A58461E0, 16 bytes long.
 Data: < v&#132;&#165;@           > 90 76 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000240A583E6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000240A5846140, 16 bytes long.
 Data: <hv&#132;&#165;@           > 68 76 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000240A5846780, 16 bytes long.
 Data: <@v&#132;&#165;@           > 40 76 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000240A5846690, 16 bytes long.
 Data: < v&#132;&#165;@           > 18 76 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000240A5845EC0, 16 bytes long.
 Data: <&#240;u&#132;&#165;@           > F0 75 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000240A583F810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000240A58467D0, 16 bytes long.
 Data: <&#184;\&#132;&#165;@           > B8 5C 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000240A583EA60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000240A5845E70, 16 bytes long.
 Data: < \&#132;&#165;@           > 90 5C 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000240A5845E20, 16 bytes long.
 Data: <h\&#132;&#165;@           > 68 5C 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000240A58460A0, 16 bytes long.
 Data: <@\&#132;&#165;@           > 40 5C 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000240A5846460, 16 bytes long.
 Data: < \&#132;&#165;@           > 18 5C 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000240A5846BE0, 16 bytes long.
 Data: <&#240;[&#132;&#165;@           > F0 5B 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000240A5846550, 16 bytes long.
 Data: <&#200;[&#132;&#165;@           > C8 5B 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000240A583E340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000240A5846500, 16 bytes long.
 Data: <&#160;[&#132;&#165;@           > A0 5B 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000240A5845BA0, 320 bytes long.
 Data: < e&#132;&#165;@   @&#227;&#131;&#165;@   > 00 65 84 A5 40 02 00 00 40 E3 83 A5 40 02 00 00 
{290} normal block at 0x00000240A5846050, 16 bytes long.
 Data: <&#208;u&#132;&#165;@           > D0 75 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240A5846A50, 16 bytes long.
 Data: <&#168;u&#132;&#165;@           > A8 75 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000240A583ED00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000240A5846C80, 16 bytes long.
 Data: < u&#132;&#165;@           > 80 75 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240A583ECA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000240A5846000, 16 bytes long.
 Data: <&#200;t&#132;&#165;@           > C8 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240A5845FB0, 16 bytes long.
 Data: <&#160;t&#132;&#165;@           > A0 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240A58460F0, 16 bytes long.
 Data: <xt&#132;&#165;@           > 78 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240A5846B90, 16 bytes long.
 Data: <Pt&#132;&#165;@           > 50 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000240A5846B40, 16 bytes long.
 Data: <(t&#132;&#165;@           > 28 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000240A5845F60, 16 bytes long.
 Data: < t&#132;&#165;@           > 00 74 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240A5845F10, 16 bytes long.
 Data: < &#241;&#131;&#165;@           > 10 F1 83 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240A583F110, 40 bytes long.
 Data: < _&#132;&#165;@   &#224; 6&#167;@   > 10 5F 84 A5 40 02 00 00 E0 81 36 A7 40 02 00 00 
{276} normal block at 0x00000240A5846910, 16 bytes long.
 Data: <&#224;s&#132;&#165;@           > E0 73 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240A58462D0, 16 bytes long.
 Data: <&#184;s&#132;&#165;@           > B8 73 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240A583EC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000240A5846190, 16 bytes long.
 Data: < s&#132;&#165;@           > 90 73 84 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240A5847390, 992 bytes long.
 Data: < a&#132;&#165;@   @&#236;&#131;&#165;@   > 90 61 84 A5 40 02 00 00 40 EC 83 A5 40 02 00 00 
{108} normal block at 0x00000240A583E700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000240A5839A10, 16 bytes long.
 Data: < &#244;&#131;&#165;@           > 20 F4 83 A5 40 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000240A583F420, 40 bytes long.
 Data: < &#154;&#131;&#165;@    &#231;&#131;&#165;@   > 10 9A 83 A5 40 02 00 00 00 E7 83 A5 40 02 00 00 
{85} normal block at 0x00000240A58394C0, 16 bytes long.
 Data: < &#234;&#186;^&#246;           > 80 EA BA 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000240A58398D0, 16 bytes long.
 Data: <@&#233;&#186;^&#246;           > 40 E9 BA 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000240A5839600, 16 bytes long.
 Data: <&#248;W&#183;^&#246;           > F8 57 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000240A583A370, 16 bytes long.
 Data: <&#216;W&#183;^&#246;           > D8 57 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000240A583A1E0, 16 bytes long.
 Data: <P &#183;^&#246;           > 50 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000240A583A140, 16 bytes long.
 Data: <0 &#183;^&#246;           > 30 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000240A5839650, 16 bytes long.
 Data: <&#224; &#183;^&#246;           > E0 02 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000240A5839E70, 16 bytes long.
 Data: <  &#183;^&#246;           > 10 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000240A5839830, 16 bytes long.
 Data: <p &#183;^&#246;           > 70 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000240A5839970, 16 bytes long.
 Data: < &#192;&#181;^&#246;           > 18 C0 B5 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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