Task 38653107

Name	test_888-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND3442_0
Workunit	31597128
Created	24 Oct 2026, 5:04:07 UTC
Sent	24 Oct 2026, 5:12:48 UTC
Report deadline	29 Oct 2026, 5:12:48 UTC
Received	24 Oct 2026, 15:20:07 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	648901
Run time	29 min 45 sec
CPU time	26 min 15 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	20,670.50 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	700.70 MB
Peak swap size	8.42 GB
Peak disk usage	4.06 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:16:42 (28072): wrapper (7.9.26016): starting
23:16:42 (28072): 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
23:16:43 (28072): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:16:43 (28072): 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\11\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\11\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) : {3835110} normal block at 0x0000021AD084DE60, 8 bytes long.
 Data: <        > 00 00 81 D0 1A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000021AD08546B0, 1080 bytes long.
 Data: < s              > EC 73 00 00 CD CD CD CD EC 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021AD08515E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:12:25 (21808): wrapper (7.9.26016): starting
09:12:25 (21808): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1456} normal block at 0x000001F7C3556B70, 8 bytes long.
 Data: <  N     > 00 00 4E C3 F7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F7C3556BE0, 1080 bytes long.
 Data: < w      P       > 00 77 00 00 CD CD CD CD 50 01 00 00 00 00 00 00 
Object dump complete.
09:15:51 (33676): wrapper (7.9.26016): starting
09:15:51 (33676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\11\tmp already exists.
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
09:19:49 (33676): C:/Windows/system32/cmd.exe exited; CPU time 203.390625
09:19:49 (33676): 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: 4479819 bytes.
Dumping objects ->
{1544} normal block at 0x0000025B7DA15470, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1533} normal block at 0x0000025B7DA152B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1522} normal block at 0x0000025B7DA14E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1511} normal block at 0x0000025B7DA150F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1500} normal block at 0x0000025B7DA15240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1469} normal block at 0x0000025B7DA09460, 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) : {1456} normal block at 0x0000025B7DA16110, 8 bytes long.
 Data: <   }[   > 00 00 FB 7D 5B 02 00 00 
{305} normal block at 0x0000025B7DA167F0, 8 bytes long.
 Data: <`m }[   > 60 6D A1 7D 5B 02 00 00 
{296} normal block at 0x0000025B7DA06AA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025B7DA163E0, 16 bytes long.
 Data: <X\ }[           > 58 5C A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025B7DA16A70, 16 bytes long.
 Data: <0\ }[           > 30 5C A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025B7DA0F340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025B7DA16AC0, 16 bytes long.
 Data: < \ }[           > 08 5C A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025B7DA161B0, 16 bytes long.
 Data: < [ }[           > E0 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025B7DA16250, 16 bytes long.
 Data: < [ }[           > B8 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025B7DA167A0, 16 bytes long.
 Data: < [ }[           > 90 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025B7DA14D70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025B7DA16200, 16 bytes long.
 Data: <   }[           > C8 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025B7DA0F4C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000025B7DA16930, 16 bytes long.
 Data: <   }[           > A0 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025B7DA16A20, 16 bytes long.
 Data: <x  }[           > 78 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025B7DA16160, 16 bytes long.
 Data: <P  }[           > 50 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025B7DA16660, 16 bytes long.
 Data: <(  }[           > 28 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025B7DA16750, 16 bytes long.
 Data: <   }[           > 00 F6 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025B7DA15DA0, 16 bytes long.
 Data: <   }[           > D8 F5 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025B7DA0FFA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025B7DA15F30, 16 bytes long.
 Data: <   }[           > B0 F5 9F 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025B7D9FF5B0, 320 bytes long.
 Data: <0_ }[      }[   > 30 5F A1 7D 5B 02 00 00 A0 FF A0 7D 5B 02 00 00 
{275} normal block at 0x0000025B7DA16980, 16 bytes long.
 Data: <p[ }[           > 70 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025B7DA16B10, 16 bytes long.
 Data: <H[ }[           > 48 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025B7DA0F2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025B7DA169D0, 16 bytes long.
 Data: < [ }[           > 20 5B A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025B7DA0FB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025B7DA15F80, 16 bytes long.
 Data: <hZ }[           > 68 5A A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025B7DA15E40, 16 bytes long.
 Data: <@Z }[           > 40 5A A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025B7DA16700, 16 bytes long.
 Data: < Z }[           > 18 5A A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025B7DA16390, 16 bytes long.
 Data: < Y }[           > F0 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025B7DA168E0, 16 bytes long.
 Data: < Y }[           > C8 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025B7DA0DE80, 16 bytes long.
 Data: < Y }[           > A0 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025B7DA0DD90, 16 bytes long.
 Data: < S }[           > 20 53 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025B7DA15320, 40 bytes long.
 Data: <   }[   `  }[   > 90 DD A0 7D 5B 02 00 00 60 94 A0 7D 5B 02 00 00 
{261} normal block at 0x0000025B7DA0DD40, 16 bytes long.
 Data: < Y }[           > 80 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025B7DA0E380, 16 bytes long.
 Data: <XY }[           > 58 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025B7DA0F460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000025B7DA0DA20, 16 bytes long.
 Data: <0Y }[           > 30 59 A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025B7DA15930, 992 bytes long.
 Data: <   }[   `  }[   > 20 DA A0 7D 5B 02 00 00 60 F4 A0 7D 5B 02 00 00 
{93} normal block at 0x0000025B7DA0F820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000025B7DA0DAC0, 16 bytes long.
 Data: < M }[           > E0 4D A1 7D 5B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025B7DA14DE0, 40 bytes long.
 Data: <   }[      }[   > C0 DA A0 7D 5B 02 00 00 20 F8 A0 7D 5B 02 00 00 
{70} normal block at 0x0000025B7DA0DDE0, 16 bytes long.
 Data: <   =            > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025B7DA0DFC0, 16 bytes long.
 Data: <@  =            > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025B7DA0E2E0, 16 bytes long.
 Data: < W =            > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025B7DA0E470, 16 bytes long.
 Data: < W =            > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025B7DA0D660, 16 bytes long.
 Data: <P  =            > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025B7DA0E240, 16 bytes long.
 Data: <0  =            > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025B7DA0E010, 16 bytes long.
 Data: <   =            > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025B7DA0D6B0, 16 bytes long.
 Data: <   =            > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025B7DA0DF20, 16 bytes long.
 Data: <p  =            > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025B7DA0DB10, 16 bytes long.
 Data: <   =            > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>