Task 38678399

Name test_705-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2737_0
Workunit 31620220
Created 26 Oct 2026, 17:16:55 UTC
Sent 26 Oct 2026, 17:16:59 UTC
Report deadline 31 Oct 2026, 17:16:59 UTC
Received 26 Oct 2026, 18:56:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 57 sec
CPU time 30 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.32 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:47 (44972): wrapper (7.9.26016): starting
14:24:47 (44972): 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
14:24:48 (44972): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:24:48 (44972): 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\31\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\31\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
14:56:33 (44972): C:/Windows/system32/cmd.exe exited; CPU time 1857.531250
14:56:33 (44972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 40265272 bytes.
Dumping objects ->
{3835291} normal block at 0x0000017D9F4978E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000017D9F498600, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000017D9F498360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000017D9F498750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000017D9F497AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x0000017DA1335F10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000017DA134B810, 85 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) : {3835202} normal block at 0x0000017D9F475140, 8 bytes long.
 Data: <   &#161;}   > 00 00 00 A1 7D 01 00 00 
{3834578} normal block at 0x0000017DA134CE90, 85 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 0x0000017D9F474830, 8 bytes long.
 Data: <`&#231; &#161;}   > 60 E7 1F A1 7D 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000017D9F465190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000017D9F4271E0, 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 0x0000017D9F4747E0, 16 bytes long.
 Data: < FG&#159;}           > 98 46 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017D9F474BA0, 16 bytes long.
 Data: <pFG&#159;}           > 70 46 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017D9F46C9F0, 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 0x0000017D9F475460, 16 bytes long.
 Data: <HFG&#159;}           > 48 46 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017D9F4756E0, 16 bytes long.
 Data: < FG&#159;}           > 20 46 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017D9F474C90, 16 bytes long.
 Data: <&#248;EG&#159;}           > F8 45 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017D9F46FCE0, 16 bytes long.
 Data: <&#208;EG&#159;}           > D0 45 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017D9F46E480, 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 0x0000017D9F46FC40, 16 bytes long.
 Data: <&#168;@G&#159;}           > A8 40 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017D9F46C210, 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 0x0000017D9F46FBA0, 16 bytes long.
 Data: < @G&#159;}           > 80 40 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017D9F470AF0, 16 bytes long.
 Data: <X@G&#159;}           > 58 40 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017D9F4708C0, 16 bytes long.
 Data: <0@G&#159;}           > 30 40 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017D9F470460, 16 bytes long.
 Data: < @G&#159;}           > 08 40 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017D9F4703C0, 16 bytes long.
 Data: <&#224;?G&#159;}           > E0 3F 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017D9F470780, 16 bytes long.
 Data: <&#184;?G&#159;}           > B8 3F 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017D9F46CFF0, 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 0x0000017D9F470280, 16 bytes long.
 Data: < ?G&#159;}           > 90 3F 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017D9F473F90, 320 bytes long.
 Data: <  G&#159;}   &#240;&#207;F&#159;}   > 80 02 47 9F 7D 01 00 00 F0 CF 46 9F 7D 01 00 00 
{281} normal block at 0x0000017D9F470640, 16 bytes long.
 Data: <&#176;EG&#159;}           > B0 45 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017D9F470140, 16 bytes long.
 Data: < EG&#159;}           > 88 45 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017D9F46CD50, 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 0x0000017D9F4700A0, 16 bytes long.
 Data: <`EG&#159;}           > 60 45 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017D9F46C750, 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 0x0000017D9F46FBF0, 16 bytes long.
 Data: <&#168;DG&#159;}           > A8 44 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017D9F470050, 16 bytes long.
 Data: < DG&#159;}           > 80 44 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017D9F470960, 16 bytes long.
 Data: <XDG&#159;}           > 58 44 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017D9F4706E0, 16 bytes long.
 Data: <0DG&#159;}           > 30 44 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017D9F46FD80, 16 bytes long.
 Data: < DG&#159;}           > 08 44 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017D9F46FF60, 16 bytes long.
 Data: <&#224;CG&#159;}           > E0 43 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017D9F470370, 16 bytes long.
 Data: <&#176;&#230;F&#159;}           > B0 E6 46 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017D9F46E6B0, 40 bytes long.
 Data: <p G&#159;}    _3&#161;}   > 70 03 47 9F 7D 01 00 00 10 5F 33 A1 7D 01 00 00 
{267} normal block at 0x0000017D9F4700F0, 16 bytes long.
 Data: <&#192;CG&#159;}           > C0 43 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017D9F4705F0, 16 bytes long.
 Data: < CG&#159;}           > 98 43 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017D9F46C630, 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 0x0000017D9F470320, 16 bytes long.
 Data: <pCG&#159;}           > 70 43 47 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017D9F474370, 992 bytes long.
 Data: <  G&#159;}   0&#198;F&#159;}   > 20 03 47 9F 7D 01 00 00 30 C6 46 9F 7D 01 00 00 
{99} normal block at 0x0000017D9F46C930, 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 0x0000017D9F4701E0, 16 bytes long.
 Data: <&#192;&#226;F&#159;}           > C0 E2 46 9F 7D 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000017D9F46E2C0, 40 bytes long.
 Data: <&#224; G&#159;}   0&#201;F&#159;}   > E0 01 47 9F 7D 01 00 00 30 C9 46 9F 7D 01 00 00 
{76} normal block at 0x0000017D9F470230, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000017D9F470550, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017D9F470410, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017D9F470820, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017D9F470500, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017D9F4709B0, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017D9F4707D0, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017D9F4702D0, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017D9F470A50, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017D9F46FDD0, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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