Task 38699936

Name test_551-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1057_0
Workunit 31640283
Created 6 Nov 2026, 7:13:13 UTC
Sent 6 Nov 2026, 7:13:16 UTC
Report deadline 11 Nov 2026, 7:13:16 UTC
Received 6 Nov 2026, 8:10:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 54 min 46 sec
CPU time 53 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.75 MB
Peak swap size 6.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:16:03 (16268): wrapper (7.9.26016): starting
08:16:03 (16268): 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
08:16:04 (16268): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:16:04 (16268): 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
09:10:16 (16268): C:/Windows/system32/cmd.exe exited; CPU time 3193.468750
09:10:16 (16268): 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: 51676579 bytes.
Dumping objects ->
{3835231} normal block at 0x00000246237FB300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000246237FB920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000246237FB0D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000246237FB1B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000246237FB290, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x00000246254D7990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x000002462382FF80, 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) : {3835142} normal block at 0x00000246237CF8A0, 8 bytes long.
 Data: <  &#195;#F   > 00 00 C3 23 46 02 00 00 
{3834545} normal block at 0x000002462382F9D0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000246237CFE90, 8 bytes long.
 Data: <&#240;`V%F   > F0 60 56 25 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000246237D36A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000246237C8910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000246237D8530, 16 bytes long.
 Data: <Hy}#F           > 48 79 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000246237D84E0, 16 bytes long.
 Data: < y}#F           > 20 79 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000246237D1A30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000246237D83A0, 16 bytes long.
 Data: <&#248;x}#F           > F8 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000246237D7E00, 16 bytes long.
 Data: <&#208;x}#F           > D0 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000246237D8120, 16 bytes long.
 Data: <&#168;x}#F           > A8 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000246237D81C0, 16 bytes long.
 Data: < x}#F           > 80 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000246237D5F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000246237D7BD0, 16 bytes long.
 Data: <X }#F           > 58 0B 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000246237D1250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000246237D8260, 16 bytes long.
 Data: <0 }#F           > 30 0B 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000246237D7F40, 16 bytes long.
 Data: <  }#F           > 08 0B 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000246237D83F0, 16 bytes long.
 Data: <&#224; }#F           > E0 0A 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000246237D7D60, 16 bytes long.
 Data: <&#184; }#F           > B8 0A 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000246237D7D10, 16 bytes long.
 Data: <  }#F           > 90 0A 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246237D8800, 16 bytes long.
 Data: <h }#F           > 68 0A 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000246237D14F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000246237D88A0, 16 bytes long.
 Data: <@ }#F           > 40 0A 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000246237D0A40, 320 bytes long.
 Data: <&#160; }#F   &#240; }#F   > A0 88 7D 23 46 02 00 00 F0 14 7D 23 46 02 00 00 
{277} normal block at 0x00000246237D8170, 16 bytes long.
 Data: <`x}#F           > 60 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000246237D7B80, 16 bytes long.
 Data: <8x}#F           > 38 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000246237D11F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000246237D85D0, 16 bytes long.
 Data: < x}#F           > 10 78 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000246237D1490, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000246237D7EA0, 16 bytes long.
 Data: <Xw}#F           > 58 77 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246237D8080, 16 bytes long.
 Data: <0w}#F           > 30 77 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000246237D7DB0, 16 bytes long.
 Data: < w}#F           > 08 77 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000246237D8030, 16 bytes long.
 Data: <&#224;v}#F           > E0 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000246237D7B30, 16 bytes long.
 Data: <&#184;v}#F           > B8 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000246237CFA30, 16 bytes long.
 Data: < v}#F           > 90 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000246237CF9E0, 16 bytes long.
 Data: <&#160;a}#F           > A0 61 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000246237D61A0, 40 bytes long.
 Data: <&#224;&#249;|#F    yM%F   > E0 F9 7C 23 46 02 00 00 90 79 4D 25 46 02 00 00 
{263} normal block at 0x00000246237CF990, 16 bytes long.
 Data: <pv}#F           > 70 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000246237D04D0, 16 bytes long.
 Data: <Hv}#F           > 48 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000246237D19D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000246237CF760, 16 bytes long.
 Data: < v}#F           > 20 76 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000246237D7620, 992 bytes long.
 Data: <`&#247;|#F   &#208; }#F   > 60 F7 7C 23 46 02 00 00 D0 19 7D 23 46 02 00 00 
{95} normal block at 0x00000246237D1730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000246237D0200, 16 bytes long.
 Data: <&#192;`}#F           > C0 60 7D 23 46 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000246237D60C0, 40 bytes long.
 Data: <  }#F   0 }#F   > 00 02 7D 23 46 02 00 00 30 17 7D 23 46 02 00 00 
{72} normal block at 0x00000246237CFEE0, 16 bytes long.
 Data: < &#234;&#130;&#156;&#246;           > 80 EA 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000246237CF850, 16 bytes long.
 Data: <@&#233;&#130;&#156;&#246;           > 40 E9 82 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000246237CF800, 16 bytes long.
 Data: <&#248;W &#156;&#246;           > F8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000246237D02F0, 16 bytes long.
 Data: <&#216;W &#156;&#246;           > D8 57 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000246237CFB70, 16 bytes long.
 Data: <P  &#156;&#246;           > 50 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000246237D0390, 16 bytes long.
 Data: <0  &#156;&#246;           > 30 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000246237CFC60, 16 bytes long.
 Data: <&#224;  &#156;&#246;           > E0 02 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000246237CF670, 16 bytes long.
 Data: <   &#156;&#246;           > 10 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000246237D0340, 16 bytes long.
 Data: <p  &#156;&#246;           > 70 04 7F 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000246237CF620, 16 bytes long.
 Data: < &#192;}&#156;&#246;           > 18 C0 7D 9C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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