Task 38685538

Name test_67-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5890_0
Workunit 31627002
Created 27 Oct 2026, 21:36:09 UTC
Sent 27 Oct 2026, 21:36:14 UTC
Report deadline 1 Nov 2026, 21:36:14 UTC
Received 27 Oct 2026, 22:08:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 29 min 44 sec
CPU time 28 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.69 MB
Peak swap size 14.46 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:39:39 (3620): wrapper (7.9.26016): starting
22:39:39 (3620): 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
22:39:40 (3620): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:39:40 (3620): 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_GPUGRID\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_GPUGRID\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: Exiting with failure status due to previous errors
23:07:49 (3620): C:/Windows/system32/cmd.exe exited; CPU time 1719.906250
23:07:49 (3620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 22234467 bytes.
Dumping objects ->
{3835309} normal block at 0x000001D1966E85C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000001D1947953F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000001D194795380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x000001D1947950E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001D1947951C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x000001D1966E90C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001D1967470C0, 180 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) : {3835220} normal block at 0x000001D19478D9E0, 8 bytes long.
 Data: <  t&#148;&#209;   > 00 00 74 94 D1 01 00 00 
{3834594} normal block at 0x000001D196746670, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001D19478E610, 8 bytes long.
 Data: <@&#170;{&#148;&#209;   > 40 AA 7B 94 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D194791DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D194786FE0, 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 0x000001D194796310, 16 bytes long.
 Data: <hoy&#148;&#209;           > 68 6F 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1947967C0, 16 bytes long.
 Data: <@oy&#148;&#209;           > 40 6F 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D19478F820, 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 0x000001D1947968B0, 16 bytes long.
 Data: < oy&#148;&#209;           > 18 6F 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1947963B0, 16 bytes long.
 Data: <&#240;ny&#148;&#209;           > F0 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1947964F0, 16 bytes long.
 Data: <&#200;ny&#148;&#209;           > C8 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D194796130, 16 bytes long.
 Data: <&#160;ny&#148;&#209;           > A0 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D194795690, 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 0x000001D194795FF0, 16 bytes long.
 Data: <(&#247;w&#148;&#209;           > 28 F7 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D194790180, 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 0x000001D1947960E0, 16 bytes long.
 Data: < &#247;w&#148;&#209;           > 00 F7 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D194795F50, 16 bytes long.
 Data: <&#216;&#246;w&#148;&#209;           > D8 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D194796720, 16 bytes long.
 Data: <&#176;&#246;w&#148;&#209;           > B0 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D194795FA0, 16 bytes long.
 Data: < &#246;w&#148;&#209;           > 88 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D1947964A0, 16 bytes long.
 Data: <`&#246;w&#148;&#209;           > 60 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D194796680, 16 bytes long.
 Data: <8&#246;w&#148;&#209;           > 38 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D19478FFA0, 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 0x000001D194795DC0, 16 bytes long.
 Data: < &#246;w&#148;&#209;           > 10 F6 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D19477F610, 320 bytes long.
 Data: <&#192;]y&#148;&#209;   &#160; x&#148;&#209;   > C0 5D 79 94 D1 01 00 00 A0 FF 78 94 D1 01 00 00 
{276} normal block at 0x000001D194796040, 16 bytes long.
 Data: < ny&#148;&#209;           > 80 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D194796270, 16 bytes long.
 Data: <Xny&#148;&#209;           > 58 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D19478FC40, 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 0x000001D194795EB0, 16 bytes long.
 Data: <0ny&#148;&#209;           > 30 6E 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D19478F700, 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 0x000001D194795F00, 16 bytes long.
 Data: <xmy&#148;&#209;           > 78 6D 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D1947965E0, 16 bytes long.
 Data: <Pmy&#148;&#209;           > 50 6D 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D194796590, 16 bytes long.
 Data: <(my&#148;&#209;           > 28 6D 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D194796950, 16 bytes long.
 Data: < my&#148;&#209;           > 00 6D 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D194796AE0, 16 bytes long.
 Data: <&#216;ly&#148;&#209;           > D8 6C 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D194796810, 16 bytes long.
 Data: <&#176;ly&#148;&#209;           > B0 6C 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D194796360, 16 bytes long.
 Data: <@Uy&#148;&#209;           > 40 55 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D194795540, 40 bytes long.
 Data: <`cy&#148;&#209;   &#192; n&#150;&#209;   > 60 63 79 94 D1 01 00 00 C0 90 6E 96 D1 01 00 00 
{262} normal block at 0x000001D194796450, 16 bytes long.
 Data: < ly&#148;&#209;           > 90 6C 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D1947966D0, 16 bytes long.
 Data: <hly&#148;&#209;           > 68 6C 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D19478FAC0, 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 0x000001D194796090, 16 bytes long.
 Data: <@ly&#148;&#209;           > 40 6C 79 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D194796C40, 992 bytes long.
 Data: < `y&#148;&#209;   &#192;&#250;x&#148;&#209;   > 90 60 79 94 D1 01 00 00 C0 FA 78 94 D1 01 00 00 
{94} normal block at 0x000001D19478FD60, 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 0x000001D19478E480, 16 bytes long.
 Data: <&#160;&#242;w&#148;&#209;           > A0 F2 77 94 D1 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D19477F2A0, 40 bytes long.
 Data: < &#228;x&#148;&#209;   `&#253;x&#148;&#209;   > 80 E4 78 94 D1 01 00 00 60 FD 78 94 D1 01 00 00 
{71} normal block at 0x000001D19478E340, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D19478E200, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D19478D940, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D19478E110, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D19478D7B0, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D19478D8F0, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D19478E1B0, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D19478E3E0, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D19478DF80, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D19478E520, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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