Task 38675042

Name test_901-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6361_0
Workunit 31617040
Created 26 Oct 2026, 7:04:52 UTC
Sent 26 Oct 2026, 7:04:59 UTC
Report deadline 31 Oct 2026, 7:04:59 UTC
Received 26 Oct 2026, 7:50:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 43 min 29 sec
CPU time 41 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.78 MB
Peak swap size 13.42 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:03:06 (20964): wrapper (7.9.26016): starting
14:03:06 (20964): 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
14:03:08 (20964): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:08 (20964): 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\20\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\20\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
14:45:34 (20964): C:/Windows/system32/cmd.exe exited; CPU time 2498.625000
14:45:34 (20964): 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: 38520471 bytes.
Dumping objects ->
{3835242} normal block at 0x00000227031EE420, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000227031EDE70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000227031ED700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x00000227031EE3B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000022701444FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x0000022703238F30, 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) : {3835154} normal block at 0x000002270143BD60, 8 bytes long.
 Data: <  &#162; '   > 00 00 A2 01 27 02 00 00 
{3833985} normal block at 0x000002270143BC70, 8 bytes long.
 Data: < T, '   > 20 54 2C 03 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000022701442A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000022701437000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000022701447080, 16 bytes long.
 Data: <&#216;|D '           > D8 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000227014476C0, 16 bytes long.
 Data: <&#176;|D '           > B0 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002270143FA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000022701446FE0, 16 bytes long.
 Data: < |D '           > 88 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022701447440, 16 bytes long.
 Data: <`|D '           > 60 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022701447800, 16 bytes long.
 Data: <8|D '           > 38 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022701446F90, 16 bytes long.
 Data: < |D '           > 10 7C 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022701445190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x00000227014478A0, 16 bytes long.
 Data: <&#216;&#254;B '           > D8 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002270143FBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000022701446F40, 16 bytes long.
 Data: <&#176;&#254;B '           > B0 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022701447620, 16 bytes long.
 Data: < &#254;B '           > 88 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022701446B30, 16 bytes long.
 Data: <`&#254;B '           > 60 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022701447300, 16 bytes long.
 Data: <8&#254;B '           > 38 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000227014473A0, 16 bytes long.
 Data: < &#254;B '           > 10 FE 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022701446EF0, 16 bytes long.
 Data: <&#232;&#253;B '           > E8 FD 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022701440040, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{290} normal block at 0x0000022701446BD0, 16 bytes long.
 Data: <&#192;&#253;B '           > C0 FD 42 01 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002270142FDC0, 320 bytes long.
 Data: <&#208;kD '   @ D '   > D0 6B 44 01 27 02 00 00 40 00 44 01 27 02 00 00 
{288} normal block at 0x00000227014477B0, 16 bytes long.
 Data: <&#240;{D '           > F0 7B 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022701446E50, 16 bytes long.
 Data: <&#200;{D '           > C8 7B 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002270143F8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000022701447490, 16 bytes long.
 Data: <&#160;{D '           > A0 7B 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002270143F7A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000022701447030, 16 bytes long.
 Data: <&#232;zD '           > E8 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000227014473F0, 16 bytes long.
 Data: <&#192;zD '           > C0 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022701447350, 16 bytes long.
 Data: < zD '           > 98 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022701447710, 16 bytes long.
 Data: <pzD '           > 70 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022701446E00, 16 bytes long.
 Data: <HzD '           > 48 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000227014471C0, 16 bytes long.
 Data: < zD '           > 20 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022701446CC0, 16 bytes long.
 Data: <pKD '           > 70 4B 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022701444B70, 40 bytes long.
 Data: <&#192;lD '   0 # '   > C0 6C 44 01 27 02 00 00 30 8F 23 03 27 02 00 00 
{274} normal block at 0x00000227014475D0, 16 bytes long.
 Data: < zD '           > 00 7A 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000227014472B0, 16 bytes long.
 Data: <&#216;yD '           > D8 79 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002270143F740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000022701446DB0, 16 bytes long.
 Data: <&#176;yD '           > B0 79 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000227014479B0, 992 bytes long.
 Data: <&#176;mD '   @&#247;C '   > B0 6D 44 01 27 02 00 00 40 F7 43 01 27 02 00 00 
{106} normal block at 0x000002270143FFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002270143BB80, 16 bytes long.
 Data: <pRD '           > 70 52 44 01 27 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000022701445270, 40 bytes long.
 Data: < &#187;C '   &#224;&#255;C '   > 80 BB 43 01 27 02 00 00 E0 FF 43 01 27 02 00 00 
{83} normal block at 0x000002270143B6D0, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002270143B180, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002270143B630, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002270143B270, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002270143B5E0, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002270143BE50, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002270143BA40, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002270143B590, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002270143BBD0, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002270143BF90, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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