Task 38687442

Name test_609-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8489_0
Workunit 31628832
Created 28 Oct 2026, 7:50:44 UTC
Sent 28 Oct 2026, 7:50:51 UTC
Report deadline 2 Nov 2026, 7:50:51 UTC
Received 28 Oct 2026, 8:38:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 45 min 28 sec
CPU time 43 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.06 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:52:39 (3332): wrapper (7.9.26016): starting
08:52:39 (3332): 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
08:52:40 (3332): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:52:40 (3332): 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\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 'C:\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
09:37:24 (3332): C:/Windows/system32/cmd.exe exited; CPU time 2629.640625
09:37:24 (3332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 37564791 bytes.
Dumping objects ->
{3835361} normal block at 0x000001AE85E216B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x000001AE85E208B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x000001AE85E21020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x000001AE85E20F40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x000001AE85E20E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x000001AE85F15B60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001AE844BD980, 141 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) : {3835272} normal block at 0x000001AE84467C90, 8 bytes long.
 Data: <  ?&#132;&#174;   > 00 00 3F 84 AE 01 00 00 
{3834603} normal block at 0x000001AE844BE5B0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001AE84468230, 8 bytes long.
 Data: <&#224;9&#250;&#133;&#174;   > E0 39 FA 85 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001AE84472A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AE8445B410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001AE84473F70, 16 bytes long.
 Data: < NG&#132;&#174;           > 18 4E 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AE84474650, 16 bytes long.
 Data: <&#240;MG&#132;&#174;           > F0 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AE8446EC70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001AE84473DE0, 16 bytes long.
 Data: <&#200;MG&#132;&#174;           > C8 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AE84473D40, 16 bytes long.
 Data: <&#160;MG&#132;&#174;           > A0 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AE84474560, 16 bytes long.
 Data: <xMG&#132;&#174;           > 78 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AE84473ED0, 16 bytes long.
 Data: <PMG&#132;&#174;           > 50 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AE8446CD00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001AE84474510, 16 bytes long.
 Data: <&#184;_E&#132;&#174;           > B8 5F 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AE8446E250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001AE84474470, 16 bytes long.
 Data: < _E&#132;&#174;           > 90 5F 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AE84474240, 16 bytes long.
 Data: <h_E&#132;&#174;           > 68 5F 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AE84473CA0, 16 bytes long.
 Data: <@_E&#132;&#174;           > 40 5F 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE844746A0, 16 bytes long.
 Data: < _E&#132;&#174;           > 18 5F 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE844741A0, 16 bytes long.
 Data: <&#240;^E&#132;&#174;           > F0 5E 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AE84473A20, 16 bytes long.
 Data: <&#200;^E&#132;&#174;           > C8 5E 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE8446E2B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001AE84474150, 16 bytes long.
 Data: <&#160;^E&#132;&#174;           > A0 5E 45 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AE84455EA0, 320 bytes long.
 Data: <PAG&#132;&#174;   &#176;&#226;F&#132;&#174;   > 50 41 47 84 AE 01 00 00 B0 E2 46 84 AE 01 00 00 
{271} normal block at 0x000001AE84474600, 16 bytes long.
 Data: <0MG&#132;&#174;           > 30 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AE84473CF0, 16 bytes long.
 Data: < MG&#132;&#174;           > 08 4D 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AE8446E010, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001AE844742E0, 16 bytes long.
 Data: <&#224;LG&#132;&#174;           > E0 4C 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AE8446E970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001AE84473BB0, 16 bytes long.
 Data: <(LG&#132;&#174;           > 28 4C 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE84473D90, 16 bytes long.
 Data: < LG&#132;&#174;           > 00 4C 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AE84474100, 16 bytes long.
 Data: <&#216;KG&#132;&#174;           > D8 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE844743D0, 16 bytes long.
 Data: <&#176;KG&#132;&#174;           > B0 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE84474380, 16 bytes long.
 Data: < KG&#132;&#174;           > 88 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AE84473F20, 16 bytes long.
 Data: <`KG&#132;&#174;           > 60 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AE84473C50, 16 bytes long.
 Data: <`&#202;F&#132;&#174;           > 60 CA 46 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AE8446CA60, 40 bytes long.
 Data: <P<G&#132;&#174;   `[&#241;&#133;&#174;   > 50 3C 47 84 AE 01 00 00 60 5B F1 85 AE 01 00 00 
{257} normal block at 0x000001AE84474420, 16 bytes long.
 Data: <@KG&#132;&#174;           > 40 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AE84473B60, 16 bytes long.
 Data: < KG&#132;&#174;           > 18 4B 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AE8446E130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001AE844739D0, 16 bytes long.
 Data: <&#240;JG&#132;&#174;           > F0 4A 47 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AE84474AF0, 992 bytes long.
 Data: <&#208;9G&#132;&#174;   0&#225;F&#132;&#174;   > D0 39 47 84 AE 01 00 00 30 E1 46 84 AE 01 00 00 
{89} normal block at 0x000001AE8446E550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001AE844681E0, 16 bytes long.
 Data: < &#204;F&#132;&#174;           > 90 CC 46 84 AE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001AE8446CC90, 40 bytes long.
 Data: <&#224; F&#132;&#174;   P&#229;F&#132;&#174;   > E0 81 46 84 AE 01 00 00 50 E5 46 84 AE 01 00 00 
{66} normal block at 0x000001AE84468140, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AE84467EC0, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AE84468000, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE84468410, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE84467880, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE84468280, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AE84467830, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AE84467FB0, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AE84468550, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AE84467DD0, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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