Task 38679504

Name test_871-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6506_0
Workunit 31621276
Created 26 Oct 2026, 20:47:45 UTC
Sent 26 Oct 2026, 20:47:58 UTC
Report deadline 31 Oct 2026, 20:47:58 UTC
Received 26 Oct 2026, 23:01:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 32 min 31 sec
CPU time 31 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.17 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:29:07 (7888): wrapper (7.9.26016): starting
17:29:07 (7888): 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
17:29:08 (7888): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:29:08 (7888): 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\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\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:00:49 (7888): C:/Windows/system32/cmd.exe exited; CPU time 1903.015625
18:00:49 (7888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28351755 bytes.
Dumping objects ->
{3835231} normal block at 0x0000021A73644820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000021A73644C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000021A73644660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000021A718C4930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000021A718C49A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000021A735E88C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000021A735FE850, 102 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) : {3835142} normal block at 0x0000021A718BE9B0, 8 bytes long.
 Data: <  =s    > 00 00 3D 73 1A 02 00 00 
{3834540} normal block at 0x0000021A735FE2D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000021A718BF180, 8 bytes long.
 Data: <PRgs    > 50 52 67 73 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021A718C0E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021A718B6490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021A718C54D0, 16 bytes long.
 Data: <&#200;f&#140;q            > C8 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021A718C5840, 16 bytes long.
 Data: <&#160;f&#140;q            > A0 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021A718BFAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021A718C5FC0, 16 bytes long.
 Data: <xf&#140;q            > 78 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021A718C53E0, 16 bytes long.
 Data: <Pf&#140;q            > 50 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021A718C6060, 16 bytes long.
 Data: <(f&#140;q            > 28 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021A718C5CF0, 16 bytes long.
 Data: < f&#140;q            > 00 66 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021A718C4C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021A718C5E80, 16 bytes long.
 Data: <&#184; &#139;q            > B8 8F 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021A718C0290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021A718C5F70, 16 bytes long.
 Data: <  &#139;q            > 90 8F 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021A718C55C0, 16 bytes long.
 Data: <h &#139;q            > 68 8F 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021A718C6010, 16 bytes long.
 Data: <@ &#139;q            > 40 8F 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021A718C5D90, 16 bytes long.
 Data: <  &#139;q            > 18 8F 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021A718C62E0, 16 bytes long.
 Data: <&#240;&#142;&#139;q            > F0 8E 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021A718C6100, 16 bytes long.
 Data: <&#200;&#142;&#139;q            > C8 8E 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021A718BFA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021A718C5C00, 16 bytes long.
 Data: <&#160;&#142;&#139;q            > A0 8E 8B 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021A718B8EA0, 320 bytes long.
 Data: < \&#140;q    P&#250;&#139;q    > 00 5C 8C 71 1A 02 00 00 50 FA 8B 71 1A 02 00 00 
{275} normal block at 0x0000021A718C59D0, 16 bytes long.
 Data: <&#224;e&#140;q            > E0 65 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021A718C5750, 16 bytes long.
 Data: <&#184;e&#140;q            > B8 65 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021A718BFB10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021A718C5480, 16 bytes long.
 Data: < e&#140;q            > 90 65 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021A718BF8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021A718C6150, 16 bytes long.
 Data: <&#216;d&#140;q            > D8 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021A718C58E0, 16 bytes long.
 Data: <&#176;d&#140;q            > B0 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021A718C5700, 16 bytes long.
 Data: < d&#140;q            > 88 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A718C5AC0, 16 bytes long.
 Data: <`d&#140;q            > 60 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021A718C5E30, 16 bytes long.
 Data: <8d&#140;q            > 38 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021A718C5520, 16 bytes long.
 Data: < d&#140;q            > 10 64 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021A718C5DE0, 16 bytes long.
 Data: < M&#140;q            > 20 4D 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021A718C4D20, 40 bytes long.
 Data: <&#224;]&#140;q    &#192; ^s    > E0 5D 8C 71 1A 02 00 00 C0 88 5E 73 1A 02 00 00 
{261} normal block at 0x0000021A718C60B0, 16 bytes long.
 Data: <&#240;c&#140;q            > F0 63 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021A718C5B10, 16 bytes long.
 Data: <&#200;c&#140;q            > C8 63 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021A718C0350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021A718C5F20, 16 bytes long.
 Data: <&#160;c&#140;q            > A0 63 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021A718C63A0, 992 bytes long.
 Data: < _&#140;q    P &#140;q    > 20 5F 8C 71 1A 02 00 00 50 03 8C 71 1A 02 00 00 
{93} normal block at 0x0000021A718BFBD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021A718BE960, 16 bytes long.
 Data: < F&#140;q            > 20 46 8C 71 1A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021A718C4620, 40 bytes long.
 Data: <`&#233;&#139;q    &#208;&#251;&#139;q    > 60 E9 8B 71 1A 02 00 00 D0 FB 8B 71 1A 02 00 00 
{70} normal block at 0x0000021A718BEAA0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021A718BEE10, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021A718BEFA0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021A718BED70, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021A718BF4F0, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021A718BEDC0, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021A718BF130, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021A718BECD0, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021A718BED20, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021A718BF2C0, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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