Task 38680847

Name test_371-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9677_0
Workunit 31622546
Created 27 Oct 2026, 1:55:06 UTC
Sent 27 Oct 2026, 1:55:14 UTC
Report deadline 1 Nov 2026, 1:55:14 UTC
Received 27 Oct 2026, 5:10:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 3 min 33 sec
CPU time 1 hours 3 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.04 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:07:29 (5008): wrapper (7.9.26016): starting
21:07:29 (5008): 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
21:07:32 (5008): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:07:32 (5008): 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\26\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\26\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
22:10:05 (5008): C:/Windows/system32/cmd.exe exited; CPU time 3799.625000
22:10:05 (5008): 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: 53404022 bytes.
Dumping objects ->
{3835270} normal block at 0x000001C057360ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001C057361560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001C0573613A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001C0573614F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001C057361330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001C057455C60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001C05746A600, 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) : {3835181} normal block at 0x000001C0558B7770, 8 bytes long.
 Data: <  &#137;U&#192;   > 00 00 89 55 C0 01 00 00 
{3834558} normal block at 0x000001C05746A740, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001C0558B79A0, 8 bytes long.
 Data: <  KW&#192;   > 00 20 4B 57 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C0558C1600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C0558ABAC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001C0558C2AA0, 16 bytes long.
 Data: <8I&#140;U&#192;           > 38 49 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C0558C29B0, 16 bytes long.
 Data: < I&#140;U&#192;           > 10 49 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C0558BD540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001C0558C2B90, 16 bytes long.
 Data: <&#232;H&#140;U&#192;           > E8 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C0558C2730, 16 bytes long.
 Data: <&#192;H&#140;U&#192;           > C0 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C0558C2D70, 16 bytes long.
 Data: < H&#140;U&#192;           > 98 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C0558C2780, 16 bytes long.
 Data: <pH&#140;U&#192;           > 70 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C0558BBBE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001C0558C2820, 16 bytes long.
 Data: < &#209;&#139;U&#192;           > 18 D1 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C0558BD720, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001C0558C3590, 16 bytes long.
 Data: <&#240;&#208;&#139;U&#192;           > F0 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C0558C3540, 16 bytes long.
 Data: <&#200;&#208;&#139;U&#192;           > C8 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C0558C2F50, 16 bytes long.
 Data: <&#160;&#208;&#139;U&#192;           > A0 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C0558C33B0, 16 bytes long.
 Data: <x&#208;&#139;U&#192;           > 78 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C0558C2B40, 16 bytes long.
 Data: <P&#208;&#139;U&#192;           > 50 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C0558C30E0, 16 bytes long.
 Data: <(&#208;&#139;U&#192;           > 28 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C0558BD780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001C0558C26E0, 16 bytes long.
 Data: < &#208;&#139;U&#192;           > 00 D0 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C0558BD000, 320 bytes long.
 Data: <&#224;&&#140;U&#192;    &#215;&#139;U&#192;   > E0 26 8C 55 C0 01 00 00 80 D7 8B 55 C0 01 00 00 
{271} normal block at 0x000001C0558C2960, 16 bytes long.
 Data: <PH&#140;U&#192;           > 50 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C0558C28C0, 16 bytes long.
 Data: <(H&#140;U&#192;           > 28 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C0558BDFC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001C0558C2AF0, 16 bytes long.
 Data: < H&#140;U&#192;           > 00 48 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C0558BD4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001C0558C2690, 16 bytes long.
 Data: <HG&#140;U&#192;           > 48 47 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C0558C3090, 16 bytes long.
 Data: < G&#140;U&#192;           > 20 47 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C0558C2EB0, 16 bytes long.
 Data: <&#248;F&#140;U&#192;           > F8 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C0558C32C0, 16 bytes long.
 Data: <&#208;F&#140;U&#192;           > D0 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C0558C34F0, 16 bytes long.
 Data: <&#168;F&#140;U&#192;           > A8 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C0558C3270, 16 bytes long.
 Data: < F&#140;U&#192;           > 80 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C0558C2C30, 16 bytes long.
 Data: <p&#187;&#139;U&#192;           > 70 BB 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C0558BBB70, 40 bytes long.
 Data: <0,&#140;U&#192;   `\EW&#192;   > 30 2C 8C 55 C0 01 00 00 60 5C 45 57 C0 01 00 00 
{257} normal block at 0x000001C0558C3450, 16 bytes long.
 Data: <`F&#140;U&#192;           > 60 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C0558C3180, 16 bytes long.
 Data: <8F&#140;U&#192;           > 38 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C0558BD480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001C0558C2640, 16 bytes long.
 Data: < F&#140;U&#192;           > 10 46 8C 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C0558C4610, 992 bytes long.
 Data: <@&&#140;U&#192;    &#212;&#139;U&#192;   > 40 26 8C 55 C0 01 00 00 80 D4 8B 55 C0 01 00 00 
{89} normal block at 0x000001C0558BD420, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001C0558B7090, 16 bytes long.
 Data: < &#186;&#139;U&#192;           > 20 BA 8B 55 C0 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001C0558BBA20, 40 bytes long.
 Data: < p&#139;U&#192;    &#212;&#139;U&#192;   > 90 70 8B 55 C0 01 00 00 20 D4 8B 55 C0 01 00 00 
{66} normal block at 0x000001C0558B75E0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C0558B7C20, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C0558B7180, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C0558B74A0, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C0558B6DC0, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C0558B7450, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C0558B7220, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C0558B7BD0, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C0558B7B80, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C0558B6F00, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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