Task 38688988

Name test_482-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND9971_0
Workunit 31630274
Created 28 Oct 2026, 17:27:25 UTC
Sent 28 Oct 2026, 17:27:32 UTC
Report deadline 2 Nov 2026, 17:27:32 UTC
Received 28 Oct 2026, 18:38:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 21 min 23 sec
CPU time 15 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.92 MB
Peak swap size 11.52 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:19:34 (26020): wrapper (7.9.26016): starting
14:19:34 (26020): 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
14:19:35 (26020): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:19:35 (26020): 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\13\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\13\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
14:36:29 (26020): C:/Windows/system32/cmd.exe exited; CPU time 947.718750
14:36:29 (26020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20460837 bytes.
Dumping objects ->
{3835525} normal block at 0x00000247947B3340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000247947B2FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000247947B2EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000247947B2E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000247947B32D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x00000247965F2720, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x0000024794818470, 140 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) : {3835436} normal block at 0x00000247947AEB30, 8 bytes long.
 Data: <  &#217;&#148;G   > 00 00 D9 94 47 02 00 00 
{3834686} normal block at 0x00000247948183A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000247947ADF50, 8 bytes long.
 Data: <&#192;&#134;`&#150;G   > C0 86 60 96 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000247947A6650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247947A7BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000247947B40E0, 16 bytes long.
 Data: < L{&#148;G           > 88 4C 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000247947B4040, 16 bytes long.
 Data: <`L{&#148;G           > 60 4C 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000247947AF590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000247947B3FA0, 16 bytes long.
 Data: <8L{&#148;G           > 38 4C 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000247947B3FF0, 16 bytes long.
 Data: < L{&#148;G           > 10 4C 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000247947B4130, 16 bytes long.
 Data: <&#232;K{&#148;G           > E8 4B 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000247947B3B90, 16 bytes long.
 Data: <&#192;K{&#148;G           > C0 4B 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000247947B3180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000247947B4450, 16 bytes long.
 Data: <&#168;&#242;y&#148;G           > A8 F2 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000247947AF3B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000247947B3910, 16 bytes long.
 Data: < &#242;y&#148;G           > 80 F2 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000247947B43B0, 16 bytes long.
 Data: <X&#242;y&#148;G           > 58 F2 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000247947B3DC0, 16 bytes long.
 Data: <0&#242;y&#148;G           > 30 F2 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000247947B3F00, 16 bytes long.
 Data: < &#242;y&#148;G           > 08 F2 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000247947B3D70, 16 bytes long.
 Data: <&#224;&#241;y&#148;G           > E0 F1 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000247947B3870, 16 bytes long.
 Data: <&#184;&#241;y&#148;G           > B8 F1 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000247947AF2F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000247947B3F50, 16 bytes long.
 Data: < &#241;y&#148;G           > 90 F1 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002479479F190, 320 bytes long.
 Data: <P?{&#148;G   &#240;&#242;z&#148;G   > 50 3F 7B 94 47 02 00 00 F0 F2 7A 94 47 02 00 00 
{274} normal block at 0x00000247947B35F0, 16 bytes long.
 Data: <&#160;K{&#148;G           > A0 4B 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000247947B3A50, 16 bytes long.
 Data: <xK{&#148;G           > 78 4B 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000247947AFD10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000247947B3EB0, 16 bytes long.
 Data: <PK{&#148;G           > 50 4B 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000247947AF110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000247947B44F0, 16 bytes long.
 Data: < J{&#148;G           > 98 4A 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000247947B3D20, 16 bytes long.
 Data: <pJ{&#148;G           > 70 4A 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000247947B36E0, 16 bytes long.
 Data: <HJ{&#148;G           > 48 4A 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000247947B3B40, 16 bytes long.
 Data: < J{&#148;G           > 20 4A 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000247947B35A0, 16 bytes long.
 Data: <&#248;I{&#148;G           > F8 49 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000247947B41D0, 16 bytes long.
 Data: <&#208;I{&#148;G           > D0 49 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000247947B3820, 16 bytes long.
 Data: <&#240;1{&#148;G           > F0 31 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000247947B31F0, 40 bytes long.
 Data: < 8{&#148;G    '_&#150;G   > 20 38 7B 94 47 02 00 00 20 27 5F 96 47 02 00 00 
{260} normal block at 0x00000247947B44A0, 16 bytes long.
 Data: <&#176;I{&#148;G           > B0 49 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000247947B3AF0, 16 bytes long.
 Data: < I{&#148;G           > 88 49 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000247947AEF30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000247947B4090, 16 bytes long.
 Data: <`I{&#148;G           > 60 49 7B 94 47 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000247947B4960, 992 bytes long.
 Data: < @{&#148;G   0&#239;z&#148;G   > 90 40 7B 94 47 02 00 00 30 EF 7A 94 47 02 00 00 
{92} normal block at 0x00000247947AEE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000247947AECC0, 16 bytes long.
 Data: < &#215;y&#148;G           > 80 D7 79 94 47 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002479479D780, 40 bytes long.
 Data: <&#192;&#236;z&#148;G   p&#238;z&#148;G   > C0 EC 7A 94 47 02 00 00 70 EE 7A 94 47 02 00 00 
{69} normal block at 0x00000247947AE900, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000247947AEC70, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000247947AE450, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000247947AE1D0, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000247947AE8B0, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000247947AE7C0, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000247947ADEB0, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000247947AE770, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000247947AE950, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000247947AE6D0, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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