Task 38662755

Name test_168-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1084_0
Workunit 31605993
Created 24 Oct 2026, 20:31:58 UTC
Sent 24 Oct 2026, 20:32:04 UTC
Report deadline 29 Oct 2026, 20:32:04 UTC
Received 25 Oct 2026, 0:22:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654379
Run time 59 min 33 sec
CPU time 59 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.93 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:46 (23280): wrapper (7.9.26016): starting
16:22:46 (23280): 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
16:22:47 (23280): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:22:47 (23280): 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\18\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\18\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
17:22:15 (23280): C:/Windows/system32/cmd.exe exited; CPU time 3541.890625
17:22:15 (23280): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 93818937 bytes.
Dumping objects ->
{3835262} normal block at 0x0000021042344D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000021042344AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000021042344ED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000210423452C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000021042345640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x000002104226E410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x00000210405107B0, 8 bytes long.
 Data: <  &#145;@    > 00 00 91 40 10 02 00 00 
{3833969} normal block at 0x00000210405108A0, 8 bytes long.
 Data: <&#176;&#164;S@    > B0 A4 53 40 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000210405128F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021040507A80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000210405176C0, 16 bytes long.
 Data: <XzQ@            > 58 7A 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021040517490, 16 bytes long.
 Data: <0zQ@            > 30 7A 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021040511200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000021040517350, 16 bytes long.
 Data: < zQ@            > 08 7A 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021040517670, 16 bytes long.
 Data: <&#224;yQ@            > E0 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021040516CC0, 16 bytes long.
 Data: <&#184;yQ@            > B8 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210405169A0, 16 bytes long.
 Data: < yQ@            > 90 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210405154D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000021040516810, 16 bytes long.
 Data: <(&#236;O@            > 28 EC 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021040511EC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000021040517210, 16 bytes long.
 Data: < &#236;O@            > 00 EC 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021040516DB0, 16 bytes long.
 Data: <&#216;&#235;O@            > D8 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210405173F0, 16 bytes long.
 Data: <&#176;&#235;O@            > B0 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021040517300, 16 bytes long.
 Data: < &#235;O@            > 88 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021040517170, 16 bytes long.
 Data: <`&#235;O@            > 60 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210405170D0, 16 bytes long.
 Data: <8&#235;O@            > 38 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000210405110E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021040516EA0, 16 bytes long.
 Data: < &#235;O@            > 10 EB 4F 40 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000210404FEB10, 320 bytes long.
 Data: <&#160;nQ@    &#224; Q@    > A0 6E 51 40 10 02 00 00 E0 10 51 40 10 02 00 00 
{280} normal block at 0x0000021040516D10, 16 bytes long.
 Data: <pyQ@            > 70 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021040516FE0, 16 bytes long.
 Data: <HyQ@            > 48 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021040511680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000021040516F40, 16 bytes long.
 Data: < yQ@            > 20 79 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021040511DA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000021040516860, 16 bytes long.
 Data: <hxQ@            > 68 78 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021040516E50, 16 bytes long.
 Data: <@xQ@            > 40 78 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021040516BD0, 16 bytes long.
 Data: < xQ@            > 18 78 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021040517260, 16 bytes long.
 Data: <&#240;wQ@            > F0 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021040517030, 16 bytes long.
 Data: <&#200;wQ@            > C8 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210405172B0, 16 bytes long.
 Data: <&#160;wQ@            > A0 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021040516EF0, 16 bytes long.
 Data: <&#192;QQ@            > C0 51 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210405151C0, 40 bytes long.
 Data: <&#240;nQ@     &#228;&B    > F0 6E 51 40 10 02 00 00 10 E4 26 42 10 02 00 00 
{266} normal block at 0x0000021040516E00, 16 bytes long.
 Data: < wQ@            > 80 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021040517120, 16 bytes long.
 Data: <XwQ@            > 58 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021040511AA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000021040517440, 16 bytes long.
 Data: <0wQ@            > 30 77 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021040517730, 992 bytes long.
 Data: <@tQ@    &#160; Q@    > 40 74 51 40 10 02 00 00 A0 1A 51 40 10 02 00 00 
{98} normal block at 0x0000021040511CE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000021040510260, 16 bytes long.
 Data: <PQQ@            > 50 51 51 40 10 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000021040515150, 40 bytes long.
 Data: <` Q@    &#224; Q@    > 60 02 51 40 10 02 00 00 E0 1C 51 40 10 02 00 00 
{75} normal block at 0x0000021040510300, 16 bytes long.
 Data: < &#234;&#168;e&#247;           > 80 EA A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021040510B70, 16 bytes long.
 Data: <@&#233;&#168;e&#247;           > 40 E9 A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000210405102B0, 16 bytes long.
 Data: <&#248;W&#165;e&#247;           > F8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021040510940, 16 bytes long.
 Data: <&#216;W&#165;e&#247;           > D8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021040510620, 16 bytes long.
 Data: <P &#165;e&#247;           > 50 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021040510B20, 16 bytes long.
 Data: <0 &#165;e&#247;           > 30 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021040510E40, 16 bytes long.
 Data: <&#224; &#165;e&#247;           > E0 02 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021040510C60, 16 bytes long.
 Data: <  &#165;e&#247;           > 10 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021040510E90, 16 bytes long.
 Data: <p &#165;e&#247;           > 70 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021040510A80, 16 bytes long.
 Data: < &#192;&#163;e&#247;           > 18 C0 A3 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra