Task 38677530

Name test_402-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7507_0
Workunit 31619399
Created 26 Oct 2026, 14:36:26 UTC
Sent 26 Oct 2026, 14:36:30 UTC
Report deadline 31 Oct 2026, 14:36:30 UTC
Received 26 Oct 2026, 15:01:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 24 min 27 sec
CPU time 22 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.75 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:37:50 (1976): wrapper (7.9.26016): starting
15:37:50 (1976): 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
15:37:51 (1976): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:37:51 (1976): 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\14\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\14\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
16:01:06 (1976): C:/Windows/system32/cmd.exe exited; CPU time 1373.312500
16:01:06 (1976): 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: 27550612 bytes.
Dumping objects ->
{3835282} normal block at 0x00000213657E1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x00000213657E0A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000213657E1480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x00000213657E0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000213657E1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x00000213658D8020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000213658EF900, 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) : {3835193} normal block at 0x0000021363BB0200, 8 bytes long.
 Data: <  "d    > 00 00 22 64 13 02 00 00 
{3834572} normal block at 0x00000213658F08A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000021363BAF800, 8 bytes long.
 Data: < &#235;&#200;c    > 20 EB C8 63 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000021363BB3DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021363BA8C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000021363BB81F0, 16 bytes long.
 Data: < &#147;&#187;c            > 98 93 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021363BB87E0, 16 bytes long.
 Data: <p&#147;&#187;c            > 70 93 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021363BB3690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000021363BB84C0, 16 bytes long.
 Data: <H&#147;&#187;c            > 48 93 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021363BB8330, 16 bytes long.
 Data: < &#147;&#187;c            > 20 93 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021363BB8470, 16 bytes long.
 Data: <&#248;&#146;&#187;c            > F8 92 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021363BB8920, 16 bytes long.
 Data: <&#208;&#146;&#187;c            > D0 92 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021363BB0A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000021363BB81A0, 16 bytes long.
 Data: <&#232; &#186;c            > E8 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021363BB2D90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000021363BB8C90, 16 bytes long.
 Data: <&#192; &#186;c            > C0 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021363BB8150, 16 bytes long.
 Data: <  &#186;c            > 98 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021363BB8420, 16 bytes long.
 Data: <p &#186;c            > 70 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021363BB8B50, 16 bytes long.
 Data: <H &#186;c            > 48 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021363BB8C40, 16 bytes long.
 Data: <  &#186;c            > 20 10 BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021363BB8100, 16 bytes long.
 Data: <&#248; &#186;c            > F8 0F BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021363BB3270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000021363BB8790, 16 bytes long.
 Data: <&#208; &#186;c            > D0 0F BA 63 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021363BA0FD0, 320 bytes long.
 Data: < &#135;&#187;c    p2&#187;c    > 90 87 BB 63 13 02 00 00 70 32 BB 63 13 02 00 00 
{281} normal block at 0x0000021363BB8BF0, 16 bytes long.
 Data: <&#176;&#146;&#187;c            > B0 92 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021363BB8740, 16 bytes long.
 Data: < &#146;&#187;c            > 88 92 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021363BB3150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000021363BB9000, 16 bytes long.
 Data: <`&#146;&#187;c            > 60 92 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021363BB3510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000021363BB86F0, 16 bytes long.
 Data: <&#168;&#145;&#187;c            > A8 91 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021363BB83D0, 16 bytes long.
 Data: < &#145;&#187;c            > 80 91 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021363BB8F60, 16 bytes long.
 Data: <X&#145;&#187;c            > 58 91 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021363BB80B0, 16 bytes long.
 Data: <0&#145;&#187;c            > 30 91 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021363BB8CE0, 16 bytes long.
 Data: < &#145;&#187;c            > 08 91 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021363BB86A0, 16 bytes long.
 Data: <&#224; &#187;c            > E0 90 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021363BB8FB0, 16 bytes long.
 Data: <&#224; &#187;c            > E0 06 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021363BB06E0, 40 bytes long.
 Data: <&#176; &#187;c       e    > B0 8F BB 63 13 02 00 00 20 80 8D 65 13 02 00 00 
{267} normal block at 0x0000021363BB8E70, 16 bytes long.
 Data: <&#192; &#187;c            > C0 90 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021363BB8F10, 16 bytes long.
 Data: <  &#187;c            > 98 90 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021363BB3630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000021363BB85B0, 16 bytes long.
 Data: <p &#187;c            > 70 90 BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021363BB9070, 992 bytes long.
 Data: <&#176;&#133;&#187;c    06&#187;c    > B0 85 BB 63 13 02 00 00 30 36 BB 63 13 02 00 00 
{99} normal block at 0x0000021363BB3390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000021363BB01B0, 16 bytes long.
 Data: <  &#187;c            > 20 0C BB 63 13 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000021363BB0C20, 40 bytes long.
 Data: <&#176; &#187;c     3&#187;c    > B0 01 BB 63 13 02 00 00 90 33 BB 63 13 02 00 00 
{76} normal block at 0x0000021363BAFD00, 16 bytes long.
 Data: < &#234;<&#206;&#247;           > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000021363BB03E0, 16 bytes long.
 Data: <@&#233;<&#206;&#247;           > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021363BB0480, 16 bytes long.
 Data: <&#248;W9&#206;&#247;           > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021363BB02F0, 16 bytes long.
 Data: <&#216;W9&#206;&#247;           > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021363BAFFD0, 16 bytes long.
 Data: <P 9&#206;&#247;           > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021363BAF6C0, 16 bytes long.
 Data: <0 9&#206;&#247;           > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021363BAFDA0, 16 bytes long.
 Data: <&#224; 9&#206;&#247;           > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021363BB0160, 16 bytes long.
 Data: <  9&#206;&#247;           > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021363BAF8F0, 16 bytes long.
 Data: <p 9&#206;&#247;           > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021363BAFCB0, 16 bytes long.
 Data: < &#192;7&#206;&#247;           > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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