Task 38673707

Name test_470-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4702_0
Workunit 31615772
Created 26 Oct 2026, 3:12:11 UTC
Sent 26 Oct 2026, 3:12:16 UTC
Report deadline 31 Oct 2026, 3:12:16 UTC
Received 26 Oct 2026, 6:33:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 19 min 55 sec
CPU time 16 min 3 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 806.54 MB
Peak swap size 10.09 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:13:42 (35800): wrapper (7.9.26016): starting
07:13:42 (35800): 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
07:13:43 (35800): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:13:43 (35800): 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\24\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\24\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
07:32:55 (35800): C:/Windows/system32/cmd.exe exited; CPU time 963.296875
07:32:55 (35800): 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: 24317318 bytes.
Dumping objects ->
{3835471} normal block at 0x00000173825F4740, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000173825F4890, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000017380764D60, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000017380764C10, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000017380764BA0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000017382565380, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000001738257E100, 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) : {3835382} normal block at 0x000001738075D8A0, 8 bytes long.
 Data: <  &#217; s   > 00 00 D9 80 73 01 00 00 
{3834663} normal block at 0x000001738257D5C0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001738075D7B0, 8 bytes long.
 Data: <PL\&#130;s   > 50 4C 5C 82 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017380760F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017380756430, 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 0x0000017380765F50, 16 bytes long.
 Data: < jv s           > 18 6A 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017380765CD0, 16 bytes long.
 Data: <&#240;iv s           > F0 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001738075EE00, 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 0x0000017380765C80, 16 bytes long.
 Data: <&#200;iv s           > C8 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017380765870, 16 bytes long.
 Data: <&#160;iv s           > A0 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017380765C30, 16 bytes long.
 Data: <xiv s           > 78 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017380766540, 16 bytes long.
 Data: <Piv s           > 50 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017380765000, 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 0x00000173807660E0, 16 bytes long.
 Data: <&#216;&#138;u s           > D8 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001738075F580, 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 0x0000017380765EB0, 16 bytes long.
 Data: <&#176;&#138;u s           > B0 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017380765D20, 16 bytes long.
 Data: < &#138;u s           > 88 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017380765A00, 16 bytes long.
 Data: <`&#138;u s           > 60 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017380766180, 16 bytes long.
 Data: <8&#138;u s           > 38 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017380765F00, 16 bytes long.
 Data: < &#138;u s           > 10 8A 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017380765BE0, 16 bytes long.
 Data: <&#232;&#137;u s           > E8 89 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001738075EDA0, 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 0x0000017380766090, 16 bytes long.
 Data: <&#192;&#137;u s           > C0 89 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173807589C0, 320 bytes long.
 Data: < `v s   &#160;&#237;u s   > 90 60 76 80 73 01 00 00 A0 ED 75 80 73 01 00 00 
{280} normal block at 0x0000017380765D70, 16 bytes long.
 Data: <0iv s           > 30 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173807659B0, 16 bytes long.
 Data: < iv s           > 08 69 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001738075F9A0, 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 0x0000017380765910, 16 bytes long.
 Data: <&#224;hv s           > E0 68 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001738075F1C0, 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 0x0000017380766130, 16 bytes long.
 Data: <(hv s           > 28 68 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017380765B90, 16 bytes long.
 Data: < hv s           > 00 68 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000173807658C0, 16 bytes long.
 Data: <&#216;gv s           > D8 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173807664A0, 16 bytes long.
 Data: <&#176;gv s           > B0 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017380765780, 16 bytes long.
 Data: < gv s           > 88 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000173807657D0, 16 bytes long.
 Data: <`gv s           > 60 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017380765960, 16 bytes long.
 Data: < Ov s           > 90 4F 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017380764F90, 40 bytes long.
 Data: <`Yv s    SV&#130;s   > 60 59 76 80 73 01 00 00 80 53 56 82 73 01 00 00 
{266} normal block at 0x00000173807664F0, 16 bytes long.
 Data: <@gv s           > 40 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017380765E10, 16 bytes long.
 Data: < gv s           > 18 67 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001738075F160, 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 0x0000017380765AF0, 16 bytes long.
 Data: <&#240;fv s           > F0 66 76 80 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000173807666F0, 992 bytes long.
 Data: <&#240;Zv s   `&#241;u s   > F0 5A 76 80 73 01 00 00 60 F1 75 80 73 01 00 00 
{98} normal block at 0x000001738075F4C0, 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 0x000001738075D760, 16 bytes long.
 Data: < &#236;u s           > 90 EC 75 80 73 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001738075EC90, 40 bytes long.
 Data: <`&#215;u s   &#192;&#244;u s   > 60 D7 75 80 73 01 00 00 C0 F4 75 80 73 01 00 00 
{75} normal block at 0x000001738075D620, 16 bytes long.
 Data: < &#234;j &#246;           > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001738075E2A0, 16 bytes long.
 Data: <@&#233;j &#246;           > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001738075D440, 16 bytes long.
 Data: <&#248;Wg &#246;           > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001738075D5D0, 16 bytes long.
 Data: <&#216;Wg &#246;           > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001738075E2F0, 16 bytes long.
 Data: <P g &#246;           > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001738075DDF0, 16 bytes long.
 Data: <0 g &#246;           > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001738075E250, 16 bytes long.
 Data: <&#224; g &#246;           > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001738075D800, 16 bytes long.
 Data: <  g &#246;           > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001738075E200, 16 bytes long.
 Data: <p g &#246;           > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001738075E070, 16 bytes long.
 Data: < &#192;e &#246;           > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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