Task 38684794

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2706_0
Workunit 31626298
Created 27 Oct 2026, 18:00:06 UTC
Sent 27 Oct 2026, 18:00:08 UTC
Report deadline 1 Nov 2026, 18:00:08 UTC
Received 27 Oct 2026, 18:44:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 43 min 42 sec
CPU time 43 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.25 MB
Peak swap size 13.00 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:01:22 (10928): wrapper (7.9.26016): starting
11:01:22 (10928): 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
11:01:23 (10928): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:01:23 (10928): 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\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 'C:\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
11:44:03 (10928): C:/Windows/system32/cmd.exe exited; CPU time 2603.375000
11:44:03 (10928): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28965519 bytes.
Dumping objects ->
{3835314} normal block at 0x0000020699C84CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000020699C84AF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x0000020699C84B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000020699C84A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000020699C84A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000002069BAC4F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002069BADEC80, 102 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) : {3835225} normal block at 0x0000020699C7F150, 8 bytes long.
 Data: <  &#197;     > 00 00 C5 99 06 02 00 00 
{3834574} normal block at 0x000002069BADEDE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000020699C7E930, 8 bytes long.
 Data: <&#176;&#223; &#155;    > B0 DF 9D 9B 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020699C813F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020699C76BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020699C855E0, 16 bytes long.
 Data: <8g&#200;             > 38 67 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020699C85950, 16 bytes long.
 Data: < g&#200;             > 10 67 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020699C7FB80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020699C858B0, 16 bytes long.
 Data: <&#232;f&#200;             > E8 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020699C85770, 16 bytes long.
 Data: <&#192;f&#200;             > C0 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020699C85E00, 16 bytes long.
 Data: < f&#200;             > 98 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020699C86350, 16 bytes long.
 Data: <pf&#200;             > 70 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020699C84690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020699C85860, 16 bytes long.
 Data: <  &#199;             > 18 90 C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020699C804E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020699C85C20, 16 bytes long.
 Data: <&#240; &#199;             > F0 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020699C85720, 16 bytes long.
 Data: <&#200; &#199;             > C8 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020699C85810, 16 bytes long.
 Data: <&#160; &#199;             > A0 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020699C854F0, 16 bytes long.
 Data: <x &#199;             > 78 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020699C857C0, 16 bytes long.
 Data: <P &#199;             > 50 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020699C86210, 16 bytes long.
 Data: <( &#199;             > 28 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020699C801E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020699C86030, 16 bytes long.
 Data: <  &#199;             > 00 8F C7 99 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020699C78F00, 320 bytes long.
 Data: <0`&#200;     &#224; &#200;     > 30 60 C8 99 06 02 00 00 E0 01 C8 99 06 02 00 00 
{274} normal block at 0x0000020699C856D0, 16 bytes long.
 Data: <Pf&#200;             > 50 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020699C854A0, 16 bytes long.
 Data: <(f&#200;             > 28 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020699C7FA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020699C85450, 16 bytes long.
 Data: < f&#200;             > 00 66 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020699C800C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020699C85FE0, 16 bytes long.
 Data: <He&#200;             > 48 65 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020699C85EA0, 16 bytes long.
 Data: < e&#200;             > 20 65 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020699C85A40, 16 bytes long.
 Data: <&#248;d&#200;             > F8 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020699C861C0, 16 bytes long.
 Data: <&#208;d&#200;             > D0 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020699C859F0, 16 bytes long.
 Data: <&#168;d&#200;             > A8 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020699C86300, 16 bytes long.
 Data: < d&#200;             > 80 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020699C86120, 16 bytes long.
 Data: < M&#200;             > 90 4D C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020699C84D90, 40 bytes long.
 Data: < a&#200;      O&#172;&#155;    > 20 61 C8 99 06 02 00 00 80 4F AC 9B 06 02 00 00 
{260} normal block at 0x0000020699C85CC0, 16 bytes long.
 Data: <`d&#200;             > 60 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020699C85680, 16 bytes long.
 Data: <8d&#200;             > 38 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020699C7FB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020699C86260, 16 bytes long.
 Data: < d&#200;             > 10 64 C8 99 06 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020699C86410, 992 bytes long.
 Data: <`b&#200;      &#251;&#199;     > 60 62 C8 99 06 02 00 00 20 FB C7 99 06 02 00 00 
{92} normal block at 0x0000020699C80480, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020699C7ECF0, 16 bytes long.
 Data: <p&#239;&#198;             > 70 EF C6 99 06 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020699C6EF70, 40 bytes long.
 Data: <&#240;&#236;&#199;       &#200;     > F0 EC C7 99 06 02 00 00 80 04 C8 99 06 02 00 00 
{69} normal block at 0x0000020699C7EA70, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020699C7F1F0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020699C7E8E0, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020699C7F4C0, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020699C7EFC0, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020699C7EC50, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020699C7F0B0, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020699C7F100, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020699C7F6A0, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020699C7E7A0, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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