Task 38688924

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6042_0
Workunit 31630217
Created 28 Oct 2026, 17:01:45 UTC
Sent 28 Oct 2026, 17:01:48 UTC
Report deadline 2 Nov 2026, 17:01:48 UTC
Received 28 Oct 2026, 18:15:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 20 min 57 sec
CPU time 16 min 8 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 747.41 MB
Peak swap size 11.52 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:55:14 (21228): wrapper (7.9.26016): starting
13:55:14 (21228): 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
13:55:15 (21228): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:55:15 (21228): 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
14:12:28 (21228): C:/Windows/system32/cmd.exe exited; CPU time 968.593750
14:12:28 (21228): 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: 20539755 bytes.
Dumping objects ->
{3835525} normal block at 0x0000024213342940, 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 0x0000024213342C50, 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 0x0000024213342860, 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 0x0000024213342BE0, 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 0x0000024213342710, 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 0x000002421506B080, 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 0x00000242133A83F0, 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 0x000002421333DF90, 8 bytes long.
 Data: <    B   > 00 00 1D 15 42 02 00 00 
{3834686} normal block at 0x00000242133A7A30, 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 0x000002421333DF40, 8 bytes long.
 Data: <&#176;M  B   > B0 4D 11 15 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024213335E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024213336830, 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 0x0000024213343F80, 16 bytes long.
 Data: < E4 B           > 98 45 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024213343990, 16 bytes long.
 Data: <pE4 B           > 70 45 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002421333EDE0, 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 0x0000024213343B20, 16 bytes long.
 Data: <HE4 B           > 48 45 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024213343760, 16 bytes long.
 Data: < E4 B           > 20 45 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024213343AD0, 16 bytes long.
 Data: <&#248;D4 B           > F8 44 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024213343E40, 16 bytes long.
 Data: <&#208;D4 B           > D0 44 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024213342DA0, 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 0x0000024213343A30, 16 bytes long.
 Data: <&#216;&#254;2 B           > D8 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002421333F620, 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 0x0000024213343B70, 16 bytes long.
 Data: <&#176;&#254;2 B           > B0 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024213343710, 16 bytes long.
 Data: < &#254;2 B           > 88 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024213343EE0, 16 bytes long.
 Data: <`&#254;2 B           > 60 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024213343F30, 16 bytes long.
 Data: <8&#254;2 B           > 38 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000242133436C0, 16 bytes long.
 Data: < &#254;2 B           > 10 FE 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024213343C60, 16 bytes long.
 Data: <&#232;&#253;2 B           > E8 FD 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002421333E7E0, 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 0x0000024213343670, 16 bytes long.
 Data: <&#192;&#253;2 B           > C0 FD 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002421332FDC0, 320 bytes long.
 Data: <p64 B   &#224;&#231;3 B   > 70 36 34 13 42 02 00 00 E0 E7 33 13 42 02 00 00 
{274} normal block at 0x0000024213343DA0, 16 bytes long.
 Data: <&#176;D4 B           > B0 44 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024213344020, 16 bytes long.
 Data: < D4 B           > 88 44 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002421333F320, 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 0x00000242133438F0, 16 bytes long.
 Data: <`D4 B           > 60 44 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002421333F2C0, 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 0x0000024213343800, 16 bytes long.
 Data: <&#168;C4 B           > A8 43 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024213343CB0, 16 bytes long.
 Data: < C4 B           > 80 43 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000242133432B0, 16 bytes long.
 Data: <XC4 B           > 58 43 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024213343BC0, 16 bytes long.
 Data: <0C4 B           > 30 43 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000242133437B0, 16 bytes long.
 Data: < C4 B           > 08 43 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024213343940, 16 bytes long.
 Data: <&#224;B4 B           > E0 42 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024213343D50, 16 bytes long.
 Data: <&#208;(4 B           > D0 28 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242133428D0, 40 bytes long.
 Data: <P=4 B    &#176;  B   > 50 3D 34 13 42 02 00 00 80 B0 06 15 42 02 00 00 
{260} normal block at 0x0000024213343E90, 16 bytes long.
 Data: <&#192;B4 B           > C0 42 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024213343850, 16 bytes long.
 Data: < B4 B           > 98 42 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002421333F260, 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 0x00000242133441B0, 16 bytes long.
 Data: <pB4 B           > 70 42 34 13 42 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024213344270, 992 bytes long.
 Data: <&#176;A4 B   `&#242;3 B   > B0 41 34 13 42 02 00 00 60 F2 33 13 42 02 00 00 
{92} normal block at 0x000002421333F0E0, 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 0x000002421333E3A0, 16 bytes long.
 Data: <&#192;&#197;2 B           > C0 C5 32 13 42 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002421332C5C0, 40 bytes long.
 Data: <&#160;&#227;3 B   &#224;&#240;3 B   > A0 E3 33 13 42 02 00 00 E0 F0 33 13 42 02 00 00 
{69} normal block at 0x000002421333DB80, 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 0x000002421333D860, 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 0x000002421333E170, 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 0x000002421333D810, 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 0x000002421333DEA0, 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 0x000002421333E300, 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 0x000002421333E120, 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 0x000002421333DAE0, 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 0x000002421333D7C0, 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 0x000002421333DBD0, 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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