Task 38677458

Name test_580-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8245_1
Workunit 31619264
Created 26 Oct 2026, 14:24:44 UTC
Sent 26 Oct 2026, 14:24:52 UTC
Report deadline 31 Oct 2026, 14:24:52 UTC
Received 26 Oct 2026, 15:05:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 14 min 46 sec
CPU time 12 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.15 MB
Peak swap size 8.61 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:50:53 (20964): wrapper (7.9.26016): starting
15:50:53 (20964): 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
15:50:56 (20964): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:50:56 (20964): 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
16:04:59 (20964): C:/Windows/system32/cmd.exe exited; CPU time 778.953125
16:04:59 (20964): 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: 18938041 bytes.
Dumping objects ->
{3835219} normal block at 0x000001CBB7D08A20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001CBB7D08470, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001CBB7D09040, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001CBB7D08BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001CBB5FF56A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001CBB7D17980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001CBB7D2F230, 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) : {3835130} normal block at 0x000001CBB5FEDE90, 8 bytes long.
 Data: <  I&#182;&#203;   > 00 00 49 B6 CB 01 00 00 
{3834536} normal block at 0x000001CBB7D2FB20, 102 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 0x000001CBB5FEE6B0, 8 bytes long.
 Data: <&#208;I&#255;&#181;&#203;   > D0 49 FF B5 CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CBB5FF1D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CBB5FE65B0, 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 0x000001CBB5FF6960, 16 bytes long.
 Data: <&#184;p&#255;&#181;&#203;           > B8 70 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CBB5FF6640, 16 bytes long.
 Data: < p&#255;&#181;&#203;           > 90 70 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CBB5FEFEC0, 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 0x000001CBB5FF5EC0, 16 bytes long.
 Data: <hp&#255;&#181;&#203;           > 68 70 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CBB5FF6320, 16 bytes long.
 Data: <@p&#255;&#181;&#203;           > 40 70 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CBB5FF61E0, 16 bytes long.
 Data: < p&#255;&#181;&#203;           > 18 70 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CBB5FF67D0, 16 bytes long.
 Data: <&#240;o&#255;&#181;&#203;           > F0 6F FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CBB5FF51D0, 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 0x000001CBB5FF65A0, 16 bytes long.
 Data: < &#142;&#254;&#181;&#203;           > 98 8E FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CBB5FEFBC0, 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 0x000001CBB5FF6280, 16 bytes long.
 Data: <p&#142;&#254;&#181;&#203;           > 70 8E FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CBB5FF60F0, 16 bytes long.
 Data: <H&#142;&#254;&#181;&#203;           > 48 8E FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CBB5FF5E70, 16 bytes long.
 Data: < &#142;&#254;&#181;&#203;           > 20 8E FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CBB5FF5F60, 16 bytes long.
 Data: <&#248; &#254;&#181;&#203;           > F8 8D FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CBB5FF6BE0, 16 bytes long.
 Data: <&#208; &#254;&#181;&#203;           > D0 8D FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CBB5FF6230, 16 bytes long.
 Data: <&#168; &#254;&#181;&#203;           > A8 8D FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CBB5FEFE60, 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 0x000001CBB5FF6500, 16 bytes long.
 Data: <  &#254;&#181;&#203;           > 80 8D FE B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CBB5FE8D80, 320 bytes long.
 Data: < e&#255;&#181;&#203;   `&#254;&#254;&#181;&#203;   > 00 65 FF B5 CB 01 00 00 60 FE FE B5 CB 01 00 00 
{276} normal block at 0x000001CBB5FF65F0, 16 bytes long.
 Data: <&#208;o&#255;&#181;&#203;           > D0 6F FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CBB5FF6190, 16 bytes long.
 Data: <&#168;o&#255;&#181;&#203;           > A8 6F FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CBB5FF0040, 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 0x000001CBB5FF6820, 16 bytes long.
 Data: < o&#255;&#181;&#203;           > 80 6F FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CBB5FEFC80, 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 0x000001CBB5FF66E0, 16 bytes long.
 Data: <&#200;n&#255;&#181;&#203;           > C8 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CBB5FF5DD0, 16 bytes long.
 Data: <&#160;n&#255;&#181;&#203;           > A0 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CBB5FF6050, 16 bytes long.
 Data: <xn&#255;&#181;&#203;           > 78 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CBB5FF6140, 16 bytes long.
 Data: <Pn&#255;&#181;&#203;           > 50 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CBB5FF5FB0, 16 bytes long.
 Data: <(n&#255;&#181;&#203;           > 28 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CBB5FF6690, 16 bytes long.
 Data: < n&#255;&#181;&#203;           > 00 6E FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CBB5FF6000, 16 bytes long.
 Data: <pT&#255;&#181;&#203;           > 70 54 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CBB5FF5470, 40 bytes long.
 Data: < `&#255;&#181;&#203;    y&#209;&#183;&#203;   > 00 60 FF B5 CB 01 00 00 80 79 D1 B7 CB 01 00 00 
{262} normal block at 0x000001CBB5FF62D0, 16 bytes long.
 Data: <&#224;m&#255;&#181;&#203;           > E0 6D FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CBB5FF6910, 16 bytes long.
 Data: <&#184;m&#255;&#181;&#203;           > B8 6D FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CBB5FF07C0, 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 0x000001CBB5FF6460, 16 bytes long.
 Data: < m&#255;&#181;&#203;           > 90 6D FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CBB5FF6D90, 992 bytes long.
 Data: <`d&#255;&#181;&#203;   &#192; &#255;&#181;&#203;   > 60 64 FF B5 CB 01 00 00 C0 07 FF B5 CB 01 00 00 
{94} normal block at 0x000001CBB5FEFDA0, 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 0x000001CBB5FEE250, 16 bytes long.
 Data: <&#192;U&#255;&#181;&#203;           > C0 55 FF B5 CB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001CBB5FF55C0, 40 bytes long.
 Data: <P&#226;&#254;&#181;&#203;   &#160;&#253;&#254;&#181;&#203;   > 50 E2 FE B5 CB 01 00 00 A0 FD FE B5 CB 01 00 00 
{71} normal block at 0x000001CBB5FEE110, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CBB5FEE020, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 18 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CBB5FEE520, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CBB5FEDD50, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CBB5FEE4D0, 16 bytes long.
 Data: <P   &#247;           > 50 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CBB5FEDB70, 16 bytes long.
 Data: <0   &#247;           > 30 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CBB5FEE480, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CBB5FEE610, 16 bytes long.
 Data: <    &#247;           > 10 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CBB5FEDD00, 16 bytes long.
 Data: <p   &#247;           > 70 04 15 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CBB5FEE1B0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 13 0C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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