Task 38682262

Name test_207-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4008_0
Workunit 31623886
Created 27 Oct 2026, 7:10:19 UTC
Sent 27 Oct 2026, 7:10:24 UTC
Report deadline 1 Nov 2026, 7:10:24 UTC
Received 27 Oct 2026, 8:34:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 588349
Run time 30 min 14 sec
CPU time 27 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.19 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:04:29 (131320): wrapper (7.9.26016): starting
04:04:29 (131320): 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
04:04:30 (131320): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:04:30 (131320): 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 'D:\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 'D:\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.
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
04:34:14 (131320): C:/Windows/system32/cmd.exe exited; CPU time 1658.375000
04:34:14 (131320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
732 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: 45816579 bytes.
Dumping objects ->
{3835302} normal block at 0x000001D81ED6E8A0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000001D81D1269E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000001D81D126970, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x000001D81D126C10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001D81D126890, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x000001D81EDB7B00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x000001D81EDD0400, 238 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) : {3835213} normal block at 0x000001D81D11F360, 8 bytes long.
 Data: <    &#216;   > 00 00 0A 1D D8 01 00 00 
{3834593} normal block at 0x000001D81EDCDB80, 238 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001D81D11F4A0, 8 bytes long.
 Data: <&#192;&#198;&#220; &#216;   > C0 C6 DC 1E D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D81D1233A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D81D1181F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001D81D128120, 16 bytes long.
 Data: <X&#133;  &#216;           > 58 85 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D81D1280D0, 16 bytes long.
 Data: <0&#133;  &#216;           > 30 85 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D81D122990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001D81D1274F0, 16 bytes long.
 Data: < &#133;  &#216;           > 08 85 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D81D1278B0, 16 bytes long.
 Data: <&#224;&#132;  &#216;           > E0 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D81D127590, 16 bytes long.
 Data: <&#184;&#132;  &#216;           > B8 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D81D127860, 16 bytes long.
 Data: < &#132;  &#216;           > 90 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D81D126BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001D81D127770, 16 bytes long.
 Data: <&#184;   &#216;           > B8 0E 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D81D121D90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001D81D127900, 16 bytes long.
 Data: <    &#216;           > 90 0E 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D81D127720, 16 bytes long.
 Data: <h   &#216;           > 68 0E 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D81D128080, 16 bytes long.
 Data: <@   &#216;           > 40 0E 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D81D127EF0, 16 bytes long.
 Data: <    &#216;           > 18 0E 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D81D127DB0, 16 bytes long.
 Data: <&#240;   &#216;           > F0 0D 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D81D127400, 16 bytes long.
 Data: <&#200;   &#216;           > C8 0D 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D81D122810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001D81D127BD0, 16 bytes long.
 Data: <&#160;   &#216;           > A0 0D 11 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D81D110DA0, 320 bytes long.
 Data: <&#208;{  &#216;    (  &#216;   > D0 7B 12 1D D8 01 00 00 10 28 12 1D D8 01 00 00 
{281} normal block at 0x000001D81D127630, 16 bytes long.
 Data: <p&#132;  &#216;           > 70 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D81D127360, 16 bytes long.
 Data: <H&#132;  &#216;           > 48 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D81D122270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001D81D1276D0, 16 bytes long.
 Data: < &#132;  &#216;           > 20 84 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D81D1227B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001D81D1279A0, 16 bytes long.
 Data: <h&#131;  &#216;           > 68 83 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D81D127B80, 16 bytes long.
 Data: <@&#131;  &#216;           > 40 83 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D81D127EA0, 16 bytes long.
 Data: < &#131;  &#216;           > 18 83 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D81D127A40, 16 bytes long.
 Data: <&#240;&#130;  &#216;           > F0 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D81D127FE0, 16 bytes long.
 Data: <&#200;&#130;  &#216;           > C8 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D81D128030, 16 bytes long.
 Data: <&#160;&#130;  &#216;           > A0 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D81D127810, 16 bytes long.
 Data: <`m  &#216;           > 60 6D 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D81D126D60, 40 bytes long.
 Data: < x  &#216;    {&#219; &#216;   > 10 78 12 1D D8 01 00 00 00 7B DB 1E D8 01 00 00 
{267} normal block at 0x000001D81D127F90, 16 bytes long.
 Data: < &#130;  &#216;           > 80 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D81D1277C0, 16 bytes long.
 Data: <X&#130;  &#216;           > 58 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D81D122690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001D81D127E50, 16 bytes long.
 Data: <0&#130;  &#216;           > 30 82 12 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D81D128230, 992 bytes long.
 Data: <P~  &#216;    &  &#216;   > 50 7E 12 1D D8 01 00 00 90 26 12 1D D8 01 00 00 
{99} normal block at 0x000001D81D1225D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001D81D11F220, 16 bytes long.
 Data: < &#245;  &#216;           > 20 F5 10 1D D8 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D81D10F520, 40 bytes long.
 Data: < &#242;  &#216;   &#208;%  &#216;   > 20 F2 11 1D D8 01 00 00 D0 25 12 1D D8 01 00 00 
{76} normal block at 0x000001D81D11EC30, 16 bytes long.
 Data: < &#234;P&#142;&#246;           > 80 EA 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D81D11F630, 16 bytes long.
 Data: <@&#233;P&#142;&#246;           > 40 E9 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D81D11ED20, 16 bytes long.
 Data: <&#248;WM&#142;&#246;           > F8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D81D11F590, 16 bytes long.
 Data: <&#216;WM&#142;&#246;           > D8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D81D11EAA0, 16 bytes long.
 Data: <P M&#142;&#246;           > 50 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D81D11F450, 16 bytes long.
 Data: <0 M&#142;&#246;           > 30 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D81D11F4F0, 16 bytes long.
 Data: <&#224; M&#142;&#246;           > E0 02 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D81D11EAF0, 16 bytes long.
 Data: <  M&#142;&#246;           > 10 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D81D11EC80, 16 bytes long.
 Data: <p M&#142;&#246;           > 70 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D81D11EFA0, 16 bytes long.
 Data: < &#192;K&#142;&#246;           > 18 C0 4B 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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