Task 38678008

Name test_486-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5118_0
Workunit 31619852
Created 26 Oct 2026, 16:04:10 UTC
Sent 26 Oct 2026, 16:04:13 UTC
Report deadline 31 Oct 2026, 16:04:13 UTC
Received 26 Oct 2026, 18:30:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 48 min 44 sec
CPU time 40 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.62 MB
Peak swap size 1.57 GB
Peak disk usage 3.39 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:42:22 (2444): wrapper (7.9.26016): starting
19:42:22 (2444): 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
19:42:24 (2444): Library/usr/bin/tar.exe exited; CPU time 0.093750
19:42:24 (2444): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
20:28:31 (2444): C:/Windows/system32/cmd.exe exited; CPU time 2423.812500
20:28:31 (2444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 29828865 bytes.
Dumping objects ->
{3835229} normal block at 0x0000022198972240, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000022198971830, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000022198972080, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x0000022198971910, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022198972400, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x00000221988CBD80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x0000022196DC4E80, 160 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) : {3835140} normal block at 0x0000022196D96150, 8 bytes long.
 Data: <  h !   > 00 00 68 98 21 02 00 00 
{3834539} normal block at 0x0000022196DC52E0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000022196D96100, 8 bytes long.
 Data: < &#242;&#217;&#150;!   > 10 F2 D9 96 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000022196D9F710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022196D8A0D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000022196DA0290, 16 bytes long.
 Data: <&#216;$&#218;&#150;!           > D8 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022196DA0BA0, 16 bytes long.
 Data: <&#176;$&#218;&#150;!           > B0 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022196D9BB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000022196DA0A60, 16 bytes long.
 Data: < $&#218;&#150;!           > 88 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022196DA0B50, 16 bytes long.
 Data: <`$&#218;&#150;!           > 60 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022196DA0A10, 16 bytes long.
 Data: <8$&#218;&#150;!           > 38 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022196D9FF70, 16 bytes long.
 Data: < $&#218;&#150;!           > 10 24 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022196D9A6A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000022196DA09C0, 16 bytes long.
 Data: <8Z&#216;&#150;!           > 38 5A D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022196D9BD20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000022196D9FE80, 16 bytes long.
 Data: < Z&#216;&#150;!           > 10 5A D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022196DA05B0, 16 bytes long.
 Data: <&#232;Y&#216;&#150;!           > E8 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022196DA0380, 16 bytes long.
 Data: <&#192;Y&#216;&#150;!           > C0 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022196DA0240, 16 bytes long.
 Data: < Y&#216;&#150;!           > 98 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022196DA0010, 16 bytes long.
 Data: <pY&#216;&#150;!           > 70 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022196DA0830, 16 bytes long.
 Data: <HY&#216;&#150;!           > 48 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022196D9BAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000022196DA0B00, 16 bytes long.
 Data: < Y&#216;&#150;!           > 20 59 D8 96 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022196D85920, 320 bytes long.
 Data: <  &#218;&#150;!   &#224;&#186;&#217;&#150;!   > 00 0B DA 96 21 02 00 00 E0 BA D9 96 21 02 00 00 
{268} normal block at 0x0000022196DA0970, 16 bytes long.
 Data: <&#240;#&#218;&#150;!           > F0 23 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022196D9FDE0, 16 bytes long.
 Data: <&#200;#&#218;&#150;!           > C8 23 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022196D9BA80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000022196DA0AB0, 16 bytes long.
 Data: <&#160;#&#218;&#150;!           > A0 23 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022196D9B9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000022196DA0060, 16 bytes long.
 Data: <&#232;"&#218;&#150;!           > E8 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022196DA0470, 16 bytes long.
 Data: <&#192;"&#218;&#150;!           > C0 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022196DA0920, 16 bytes long.
 Data: < "&#218;&#150;!           > 98 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022196DA0880, 16 bytes long.
 Data: <p"&#218;&#150;!           > 70 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022196DA0CE0, 16 bytes long.
 Data: <H"&#218;&#150;!           > 48 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022196DA0C40, 16 bytes long.
 Data: < "&#218;&#150;!           > 20 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022196DA0560, 16 bytes long.
 Data: <p&#164;&#217;&#150;!           > 70 A4 D9 96 21 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022196D9A470, 40 bytes long.
 Data: <` &#218;&#150;!    &#189;&#140; !   > 60 05 DA 96 21 02 00 00 80 BD 8C 98 21 02 00 00 
{254} normal block at 0x0000022196DA07E0, 16 bytes long.
 Data: < "&#218;&#150;!           > 00 22 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022196DA0D30, 16 bytes long.
 Data: <&#216;!&#218;&#150;!           > D8 21 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022196D9BA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000022196DA0790, 16 bytes long.
 Data: <&#176;!&#218;&#150;!           > B0 21 DA 96 21 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022196DA21B0, 992 bytes long.
 Data: <  &#218;&#150;!    &#186;&#217;&#150;!   > 90 07 DA 96 21 02 00 00 20 BA D9 96 21 02 00 00 
{86} normal block at 0x0000022196D9C080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000022196D96060, 16 bytes long.
 Data: <P&#165;&#217;&#150;!           > 50 A5 D9 96 21 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000022196D9A550, 40 bytes long.
 Data: <``&#217;&#150;!    &#192;&#217;&#150;!   > 60 60 D9 96 21 02 00 00 80 C0 D9 96 21 02 00 00 
{63} normal block at 0x0000022196D958E0, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022196D95890, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022196D96240, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022196D95FC0, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022196D95520, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022196D95840, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022196D95700, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022196D95F70, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022196D95E30, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022196D95ED0, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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