Task 38696776

Name test_469-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7570_0
Workunit 31637393
Created 1 Nov 2026, 4:36:14 UTC
Sent 1 Nov 2026, 4:36:16 UTC
Report deadline 6 Nov 2026, 4:36:16 UTC
Received 1 Nov 2026, 5:20:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649231
Run time 42 min 35 sec
CPU time 39 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.29 MB
Peak swap size 14.45 GB
Peak disk usage 3.34 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:38:06 (37388): wrapper (7.9.26016): starting
23:38:06 (37388): 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
23:38:08 (37388): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:38:08 (37388): 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\36\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\36\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
00:19:12 (37388): C:/Windows/system32/cmd.exe exited; CPU time 2358.359375
00:19:12 (37388): 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: 57355483 bytes.
Dumping objects ->
{3835285} normal block at 0x0000025F32687060, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x0000025F326873E0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x0000025F32686FF0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835252} normal block at 0x0000025F32687370, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000025F32686F80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835210} normal block at 0x0000025F34589BA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000025F3459F470, 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) : {3835196} normal block at 0x0000025F3267DD40, 8 bytes long.
 Data: <  &#190;2_   > 00 00 BE 32 5F 02 00 00 
{3834573} normal block at 0x0000025F3459F520, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000025F3267DB60, 8 bytes long.
 Data: < V^4_   > 20 56 5E 34 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025F326828A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025F32677020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000025F32685E80, 16 bytes long.
 Data: < lh2_           > 08 6C 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025F32685840, 16 bytes long.
 Data: <&#224;kh2_           > E0 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025F3267FC70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000025F326857F0, 16 bytes long.
 Data: <&#184;kh2_           > B8 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025F326856B0, 16 bytes long.
 Data: < kh2_           > 90 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025F32685660, 16 bytes long.
 Data: <hkh2_           > 68 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025F32685C00, 16 bytes long.
 Data: <@kh2_           > 40 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025F32686F10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000025F326859D0, 16 bytes long.
 Data: <H&#240;f2_           > 48 F0 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025F32680810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000025F32685610, 16 bytes long.
 Data: < &#240;f2_           > 20 F0 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025F326855C0, 16 bytes long.
 Data: <&#248;&#239;f2_           > F8 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025F32686150, 16 bytes long.
 Data: <&#208;&#239;f2_           > D0 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025F326863D0, 16 bytes long.
 Data: <&#168;&#239;f2_           > A8 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F32685570, 16 bytes long.
 Data: < &#239;f2_           > 80 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F32686380, 16 bytes long.
 Data: <X&#239;f2_           > 58 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025F32680150, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000025F32685750, 16 bytes long.
 Data: <0&#239;f2_           > 30 EF 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F3266EF30, 320 bytes long.
 Data: <PWh2_   P h2_   > 50 57 68 32 5F 02 00 00 50 01 68 32 5F 02 00 00 
{278} normal block at 0x0000025F32686100, 16 bytes long.
 Data: < kh2_           > 20 6B 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025F32685B10, 16 bytes long.
 Data: <&#248;jh2_           > F8 6A 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F326808D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000025F32686330, 16 bytes long.
 Data: <&#208;jh2_           > D0 6A 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F32680750, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000025F32686240, 16 bytes long.
 Data: < jh2_           > 18 6A 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025F326861A0, 16 bytes long.
 Data: <&#240;ih2_           > F0 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025F32685CA0, 16 bytes long.
 Data: <&#200;ih2_           > C8 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025F326860B0, 16 bytes long.
 Data: <&#160;ih2_           > A0 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F32685520, 16 bytes long.
 Data: <xih2_           > 78 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F32685890, 16 bytes long.
 Data: <Pih2_           > 50 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025F32686290, 16 bytes long.
 Data: <&#192;&#244;f2_           > C0 F4 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F3266F4C0, 40 bytes long.
 Data: < bh2_   &#160;&#155;X4_   > 90 62 68 32 5F 02 00 00 A0 9B 58 34 5F 02 00 00 
{264} normal block at 0x0000025F32686060, 16 bytes long.
 Data: <0ih2_           > 30 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F32686420, 16 bytes long.
 Data: < ih2_           > 08 69 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F326806F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000025F326862E0, 16 bytes long.
 Data: <&#224;hh2_           > E0 68 68 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025F326868E0, 992 bytes long.
 Data: <&#224;bh2_   &#240; h2_   > E0 62 68 32 5F 02 00 00 F0 06 68 32 5F 02 00 00 
{96} normal block at 0x0000025F3267FAF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000025F3267DBB0, 16 bytes long.
 Data: <p&#243;f2_           > 70 F3 66 32 5F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000025F3266F370, 40 bytes long.
 Data: <&#176;&#219;g2_   &#240;&#250;g2_   > B0 DB 67 32 5F 02 00 00 F0 FA 67 32 5F 02 00 00 
{73} normal block at 0x0000025F3267E4C0, 16 bytes long.
 Data: < &#234;&#206;C&#246;           > 80 EA CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025F3267DFC0, 16 bytes long.
 Data: <@&#233;&#206;C&#246;           > 40 E9 CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025F3267E470, 16 bytes long.
 Data: <&#248;W&#203;C&#246;           > F8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025F3267E100, 16 bytes long.
 Data: <&#216;W&#203;C&#246;           > D8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025F3267E330, 16 bytes long.
 Data: <P &#203;C&#246;           > 50 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025F3267E920, 16 bytes long.
 Data: <0 &#203;C&#246;           > 30 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025F3267DF70, 16 bytes long.
 Data: <&#224; &#203;C&#246;           > E0 02 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025F3267DA70, 16 bytes long.
 Data: <  &#203;C&#246;           > 10 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F3267D9D0, 16 bytes long.
 Data: <p &#203;C&#246;           > 70 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F3267E420, 16 bytes long.
 Data: < &#192;&#201;C&#246;           > 18 C0 C9 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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