Task 38658996

Name test_1147-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5667_0
Workunit 31602554
Created 24 Oct 2026, 13:12:47 UTC
Sent 24 Oct 2026, 14:23:32 UTC
Report deadline 29 Oct 2026, 14:23:32 UTC
Received 24 Oct 2026, 20:03:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 17 min 59 sec
CPU time 16 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.15 MB
Peak swap size 5.42 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:41:47 (12200): wrapper (7.9.26016): starting
19:41:47 (12200): 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
19:41:48 (12200): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:41:48 (12200): 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
19:59:00 (12200): C:/Windows/system32/cmd.exe exited; CPU time 1011.921875
19:59:00 (12200): 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: 14493769 bytes.
Dumping objects ->
{3835235} normal block at 0x00000252965748F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000025296574CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000025296574D50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x0000025296574C00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000025296574B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000002529836C180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002529837E7A0, 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) : {3835146} normal block at 0x000002529656A4D0, 8 bytes long.
 Data: <  &#163;&#150;R   > 00 00 A3 96 52 02 00 00 
{3834547} normal block at 0x000002529837E430, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002529656A1B0, 8 bytes long.
 Data: < 6< R   > 80 36 3C 98 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025296570A40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000252965659E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000025296575040, 16 bytes long.
 Data: <HaW&#150;R           > 48 61 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025296574F00, 16 bytes long.
 Data: < aW&#150;R           > 20 61 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002529656DD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000252965754F0, 16 bytes long.
 Data: <&#248;`W&#150;R           > F8 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025296574E60, 16 bytes long.
 Data: <&#208;`W&#150;R           > D0 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000252965751D0, 16 bytes long.
 Data: <&#168;`W&#150;R           > A8 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025296575860, 16 bytes long.
 Data: < `W&#150;R           > 80 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025296574B90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000025296575310, 16 bytes long.
 Data: <&#232;DW&#150;R           > E8 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002529656E6B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000252965753B0, 16 bytes long.
 Data: <&#192;DW&#150;R           > C0 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025296574FF0, 16 bytes long.
 Data: < DW&#150;R           > 98 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025296575DB0, 16 bytes long.
 Data: <pDW&#150;R           > 70 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000252965754A0, 16 bytes long.
 Data: <HDW&#150;R           > 48 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025296575D60, 16 bytes long.
 Data: < DW&#150;R           > 20 44 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025296575D10, 16 bytes long.
 Data: <&#248;CW&#150;R           > F8 43 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002529656DC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000025296575B30, 16 bytes long.
 Data: <&#208;CW&#150;R           > D0 43 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252965743D0, 320 bytes long.
 Data: <0[W&#150;R    &#220;V&#150;R   > 30 5B 57 96 52 02 00 00 90 DC 56 96 52 02 00 00 
{280} normal block at 0x0000025296575090, 16 bytes long.
 Data: <``W&#150;R           > 60 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252965750E0, 16 bytes long.
 Data: <8`W&#150;R           > 38 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002529656E3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000025296575770, 16 bytes long.
 Data: < `W&#150;R           > 10 60 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002529656E170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000025296575450, 16 bytes long.
 Data: <X_W&#150;R           > 58 5F 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252965756D0, 16 bytes long.
 Data: <0_W&#150;R           > 30 5F 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025296575360, 16 bytes long.
 Data: < _W&#150;R           > 08 5F 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025296575AE0, 16 bytes long.
 Data: <&#224;^W&#150;R           > E0 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025296575A90, 16 bytes long.
 Data: <&#184;^W&#150;R           > B8 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025296575400, 16 bytes long.
 Data: < ^W&#150;R           > 90 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000252965759F0, 16 bytes long.
 Data: <@JW&#150;R           > 40 4A 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025296574A40, 40 bytes long.
 Data: <&#240;YW&#150;R    &#193;6 R   > F0 59 57 96 52 02 00 00 80 C1 36 98 52 02 00 00 
{266} normal block at 0x0000025296575CC0, 16 bytes long.
 Data: <p^W&#150;R           > 70 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000252965755E0, 16 bytes long.
 Data: <H^W&#150;R           > 48 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002529656DCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000025296575220, 16 bytes long.
 Data: < ^W&#150;R           > 20 5E 57 96 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025296575E20, 992 bytes long.
 Data: < RW&#150;R   &#240;&#220;V&#150;R   > 20 52 57 96 52 02 00 00 F0 DC 56 96 52 02 00 00 
{98} normal block at 0x000002529656E2F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002529656A520, 16 bytes long.
 Data: <P&#214;U&#150;R           > 50 D6 55 96 52 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002529655D650, 40 bytes long.
 Data: < &#165;V&#150;R   &#240;&#226;V&#150;R   > 20 A5 56 96 52 02 00 00 F0 E2 56 96 52 02 00 00 
{75} normal block at 0x000002529656AB60, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002529656A5C0, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025296569F30, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002529656A660, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025296569C10, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002529656AA70, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025296569EE0, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002529656AA20, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002529656A390, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002529656A700, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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