Task 38687704

Name test_77-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4715_0
Workunit 31629086
Created 28 Oct 2026, 9:16:49 UTC
Sent 28 Oct 2026, 9:16:53 UTC
Report deadline 2 Nov 2026, 9:16:53 UTC
Received 28 Oct 2026, 9:56:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 19 min 2 sec
CPU time 17 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.88 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:36:50 (34748): wrapper (7.9.26016): starting
04:36:50 (34748): 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
04:36:51 (34748): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:36:51 (34748): 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\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 'C:\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
04:54:59 (34748): C:/Windows/system32/cmd.exe exited; CPU time 1066.734375
04:54:59 (34748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 20737769 bytes.
Dumping objects ->
{3835250} normal block at 0x000002016F24D150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000002016D454CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002016D454BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000002016D454B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000002016D454AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000002016F2981C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x000002016D44F0B0, 8 bytes long.
 Data: <  &#167;m    > 00 00 A7 6D 01 02 00 00 
{3833961} normal block at 0x000002016D44F1F0, 8 bytes long.
 Data: <&#176;&#227; o    > B0 E3 1A 6F 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002016D450EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002016D445D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002016D456260, 16 bytes long.
 Data: <&#232;fEm            > E8 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002016D455CC0, 16 bytes long.
 Data: <&#192;fEm            > C0 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002016D44FA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002016D455900, 16 bytes long.
 Data: < fEm            > 98 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002016D455B80, 16 bytes long.
 Data: <pfEm            > 70 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002016D455810, 16 bytes long.
 Data: <HfEm            > 48 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002016D455B30, 16 bytes long.
 Data: < fEm            > 20 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002016D454C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002016D456170, 16 bytes long.
 Data: <h&#229;Dm            > 68 E5 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002016D4504F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002016D455F90, 16 bytes long.
 Data: <@&#229;Dm            > 40 E5 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002016D455F40, 16 bytes long.
 Data: < &#229;Dm            > 18 E5 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002016D4556D0, 16 bytes long.
 Data: <&#240;&#228;Dm            > F0 E4 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002016D455BD0, 16 bytes long.
 Data: <&#200;&#228;Dm            > C8 E4 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002016D455C20, 16 bytes long.
 Data: <&#160;&#228;Dm            > A0 E4 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002016D455540, 16 bytes long.
 Data: <x&#228;Dm            > 78 E4 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002016D44FC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002016D455630, 16 bytes long.
 Data: <P&#228;Dm            > 50 E4 44 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002016D44E450, 320 bytes long.
 Data: <0VEm    P&#252;Dm    > 30 56 45 6D 01 02 00 00 50 FC 44 6D 01 02 00 00 
{276} normal block at 0x000002016D455DB0, 16 bytes long.
 Data: < fEm            > 00 66 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002016D456120, 16 bytes long.
 Data: <&#216;eEm            > D8 65 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002016D44FE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002016D455EA0, 16 bytes long.
 Data: <&#176;eEm            > B0 65 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002016D44F770, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002016D455FE0, 16 bytes long.
 Data: <&#248;dEm            > F8 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002016D455590, 16 bytes long.
 Data: <&#208;dEm            > D0 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002016D4555E0, 16 bytes long.
 Data: <&#168;dEm            > A8 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002016D4559A0, 16 bytes long.
 Data: < dEm            > 80 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002016D455E00, 16 bytes long.
 Data: <XdEm            > 58 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002016D4561C0, 16 bytes long.
 Data: <0dEm            > 30 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002016D455D60, 16 bytes long.
 Data: < GEm            > 90 47 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002016D454790, 40 bytes long.
 Data: <`]Em    &#192; )o    > 60 5D 45 6D 01 02 00 00 C0 81 29 6F 01 02 00 00 
{262} normal block at 0x000002016D4560D0, 16 bytes long.
 Data: < dEm            > 10 64 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002016D455950, 16 bytes long.
 Data: <&#232;cEm            > E8 63 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002016D4503D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002016D455E50, 16 bytes long.
 Data: <&#192;cEm            > C0 63 45 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002016D4563C0, 992 bytes long.
 Data: <P^Em    &#208; Em    > 50 5E 45 6D 01 02 00 00 D0 03 45 6D 01 02 00 00 
{94} normal block at 0x000002016D44FEF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002016D44F2E0, 16 bytes long.
 Data: <&#176;&#237;Cm            > B0 ED 43 6D 01 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002016D43EDB0, 40 bytes long.
 Data: <&#224;&#242;Dm    &#240;&#254;Dm    > E0 F2 44 6D 01 02 00 00 F0 FE 44 6D 01 02 00 00 
{71} normal block at 0x000002016D44EB60, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002016D44F240, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002016D44F470, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002016D44ECF0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002016D44F060, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002016D44E9D0, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002016D44ECA0, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002016D44EC50, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002016D44EFC0, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002016D44EB10, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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