Task 38684637

Name test_893-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4134_0
Workunit 31626145
Created 27 Oct 2026, 17:16:30 UTC
Sent 27 Oct 2026, 17:16:32 UTC
Report deadline 1 Nov 2026, 17:16:32 UTC
Received 27 Oct 2026, 17:52:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 35 min 34 sec
CPU time 35 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.52 MB
Peak swap size 12.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:17:37 (7424): wrapper (7.9.26016): starting
10:17:37 (7424): 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
10:17:38 (7424): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:17:38 (7424): 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\1\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\1\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
10:52:17 (7424): C:/Windows/system32/cmd.exe exited; CPU time 2124.265625
10:52:17 (7424): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23090589 bytes.
Dumping objects ->
{3835314} normal block at 0x000002B7628547E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000002B762854B60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x000002B762854770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x000002B762854AF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000002B762854700, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000002B764555F00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002B76456E860, 102 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) : {3835225} normal block at 0x000002B76284EA20, 8 bytes long.
 Data: <  &#195;b&#183;   > 00 00 C3 62 B7 02 00 00 
{3834574} normal block at 0x000002B76456E390, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002B76284F470, 8 bytes long.
 Data: < &#170;&#135;b&#183;   > 80 AA 87 62 B7 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002B762851530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B762846A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002B762855AE0, 16 bytes long.
 Data: <8g&#133;b&#183;           > 38 67 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B762855A90, 16 bytes long.
 Data: < g&#133;b&#183;           > 10 67 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B76284FE80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002B762855900, 16 bytes long.
 Data: <&#232;f&#133;b&#183;           > E8 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B762855EF0, 16 bytes long.
 Data: <&#192;f&#133;b&#183;           > C0 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B762855A40, 16 bytes long.
 Data: < f&#133;b&#183;           > 98 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B762855CC0, 16 bytes long.
 Data: <pf&#133;b&#183;           > 70 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B762854C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002B7628563A0, 16 bytes long.
 Data: <  &#132;b&#183;           > 18 90 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B762850360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002B762855EA0, 16 bytes long.
 Data: <&#240; &#132;b&#183;           > F0 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B762855950, 16 bytes long.
 Data: <&#200; &#132;b&#183;           > C8 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B762855540, 16 bytes long.
 Data: <&#160; &#132;b&#183;           > A0 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B762856170, 16 bytes long.
 Data: <x &#132;b&#183;           > 78 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B762856080, 16 bytes long.
 Data: <P &#132;b&#183;           > 50 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B762856210, 16 bytes long.
 Data: <( &#132;b&#183;           > 28 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B762850240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002B762855C70, 16 bytes long.
 Data: <  &#132;b&#183;           > 00 8F 84 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B762848F00, 320 bytes long.
 Data: <p\&#133;b&#183;   @ &#133;b&#183;   > 70 5C 85 62 B7 02 00 00 40 02 85 62 B7 02 00 00 
{274} normal block at 0x000002B7628562B0, 16 bytes long.
 Data: <Pf&#133;b&#183;           > 50 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B762856350, 16 bytes long.
 Data: <(f&#133;b&#183;           > 28 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B76284FD60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002B762856120, 16 bytes long.
 Data: < f&#133;b&#183;           > 00 66 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002B762850480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002B7628559F0, 16 bytes long.
 Data: <He&#133;b&#183;           > 48 65 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B762856300, 16 bytes long.
 Data: < e&#133;b&#183;           > 20 65 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B762855B80, 16 bytes long.
 Data: <&#248;d&#133;b&#183;           > F8 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B7628554F0, 16 bytes long.
 Data: <&#208;d&#133;b&#183;           > D0 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B762856260, 16 bytes long.
 Data: <&#168;d&#133;b&#183;           > A8 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B762855C20, 16 bytes long.
 Data: < d&#133;b&#183;           > 80 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B762855BD0, 16 bytes long.
 Data: < M&#133;b&#183;           > 90 4D 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B762854D90, 40 bytes long.
 Data: <&#208;[&#133;b&#183;    _Ud&#183;   > D0 5B 85 62 B7 02 00 00 00 5F 55 64 B7 02 00 00 
{260} normal block at 0x000002B762855FE0, 16 bytes long.
 Data: <`d&#133;b&#183;           > 60 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B762855450, 16 bytes long.
 Data: <8d&#133;b&#183;           > 38 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B7628503C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002B762855E00, 16 bytes long.
 Data: < d&#133;b&#183;           > 10 64 85 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002B762856410, 992 bytes long.
 Data: < ^&#133;b&#183;   &#192; &#133;b&#183;   > 00 5E 85 62 B7 02 00 00 C0 03 85 62 B7 02 00 00 
{92} normal block at 0x000002B762850540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002B76284F290, 16 bytes long.
 Data: <p&#239;&#131;b&#183;           > 70 EF 83 62 B7 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002B76283EF70, 40 bytes long.
 Data: < &#242;&#132;b&#183;   @ &#133;b&#183;   > 90 F2 84 62 B7 02 00 00 40 05 85 62 B7 02 00 00 
{69} normal block at 0x000002B76284F2E0, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B76284ECF0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B76284F510, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B76284E890, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B76284F1A0, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B76284E840, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B76284F600, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B76284F380, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B76284F420, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B76284EB60, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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