Task 38650625

Name test_121-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND6959_1
Workunit 31592998
Created 23 Oct 2026, 23:52:42 UTC
Sent 24 Oct 2026, 4:58:19 UTC
Report deadline 29 Oct 2026, 4:58:19 UTC
Received 24 Oct 2026, 6:03:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 29 min 37 sec
CPU time 25 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.28 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:34:10 (59708): wrapper (7.9.26016): starting
08:34:10 (59708): 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
08:34:11 (59708): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:34:11 (59708): 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
09:02:48 (59708): C:/Windows/system32/cmd.exe exited; CPU time 1540.937500
09:02:48 (59708): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 24447161 bytes.
Dumping objects ->
{3835554} normal block at 0x0000022030DFB820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000022030DFB350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000022030DD5380, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000022030DD5230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000022030DD5930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000022032A77BF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000022032B04E40, 120 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) : {3835465} normal block at 0x0000022030DCE710, 8 bytes long.
 Data: <  $1    > 00 00 24 31 20 02 00 00 
{3834692} normal block at 0x0000022032B046C0, 120 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 0x0000022030DCE260, 8 bytes long.
 Data: <&#160;Y&#176;2    > A0 59 B0 32 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022030DD1B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022030DC7140, 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 0x0000022030DD6AC0, 16 bytes long.
 Data: <(q&#221;0            > 28 71 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022030DD6930, 16 bytes long.
 Data: < q&#221;0            > 00 71 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022030DCFEA0, 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 0x0000022030DD6C50, 16 bytes long.
 Data: <&#216;p&#221;0            > D8 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022030DD69D0, 16 bytes long.
 Data: <&#176;p&#221;0            > B0 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022030DD61B0, 16 bytes long.
 Data: < p&#221;0            > 88 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022030DD67A0, 16 bytes long.
 Data: <`p&#221;0            > 60 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022030DD5540, 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 0x0000022030DD6CA0, 16 bytes long.
 Data: < &#186;&#219;0            > 08 BA DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022030DCFBA0, 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 0x0000022030DD6520, 16 bytes long.
 Data: <&#224; &#219;0            > E0 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022030DD6160, 16 bytes long.
 Data: <&#184; &#219;0            > B8 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022030DD5FD0, 16 bytes long.
 Data: <&#144; &#219;0            > 90 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022030DD6110, 16 bytes long.
 Data: <h &#219;0            > 68 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022030DD6C00, 16 bytes long.
 Data: <@ &#219;0            > 40 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022030DD62A0, 16 bytes long.
 Data: <  &#219;0            > 18 B9 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022030DD06E0, 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 0x0000022030DD6480, 16 bytes long.
 Data: <&#240;&#184;&#219;0            > F0 B8 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022030DBB8F0, 320 bytes long.
 Data: <&#128;d&#221;0    &#224; &#221;0    > 80 64 DD 30 20 02 00 00 E0 06 DD 30 20 02 00 00 
{276} normal block at 0x0000022030DD6070, 16 bytes long.
 Data: <@p&#221;0            > 40 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022030DD68E0, 16 bytes long.
 Data: < p&#221;0            > 18 70 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022030DD04A0, 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 0x0000022030DD6430, 16 bytes long.
 Data: <&#240;o&#221;0            > F0 6F DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022030DD0620, 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 0x0000022030DD60C0, 16 bytes long.
 Data: <8o&#221;0            > 38 6F DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022030DD6BB0, 16 bytes long.
 Data: < o&#221;0            > 10 6F DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022030DD6340, 16 bytes long.
 Data: <&#232;n&#221;0            > E8 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022030DD6700, 16 bytes long.
 Data: <&#192;n&#221;0            > C0 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022030DD67F0, 16 bytes long.
 Data: < n&#221;0            > 98 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022030DD6B60, 16 bytes long.
 Data: <pn&#221;0            > 70 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022030DD6840, 16 bytes long.
 Data: < W&#221;0            > 00 57 DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022030DD5700, 40 bytes long.
 Data: <@h&#221;0    &#240;{&#167;2    > 40 68 DD 30 20 02 00 00 F0 7B A7 32 20 02 00 00 
{262} normal block at 0x0000022030DD5F80, 16 bytes long.
 Data: <Pn&#221;0            > 50 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022030DD6890, 16 bytes long.
 Data: <(n&#221;0            > 28 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022030DD05C0, 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 0x0000022030DD6020, 16 bytes long.
 Data: < n&#221;0            > 00 6E DD 30 20 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022030DD6E00, 992 bytes long.
 Data: < `&#221;0    &#192; &#221;0    > 20 60 DD 30 20 02 00 00 C0 05 DD 30 20 02 00 00 
{94} normal block at 0x0000022030DCFFC0, 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 0x0000022030DCE120, 16 bytes long.
 Data: < &#243;&#219;0            > 20 F3 DB 30 20 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022030DBF320, 40 bytes long.
 Data: < &#225;&#220;0    &#192;&#255;&#220;0    > 20 E1 DC 30 20 02 00 00 C0 FF DC 30 20 02 00 00 
{71} normal block at 0x0000022030DCE3A0, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022030DCDB30, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022030DCE210, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022030DCDCC0, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022030DCDE00, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022030DCD900, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022030DCE5D0, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022030DCE0D0, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022030DCE800, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022030DCDEA0, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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