Task 38666649

Name test_580-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8245_0
Workunit 31609484
Created 25 Oct 2026, 4:14:39 UTC
Sent 25 Oct 2026, 4:24:59 UTC
Report deadline 30 Oct 2026, 4:24:59 UTC
Received 25 Oct 2026, 6:03:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654777
Run time 30 min 25 sec
CPU time 27 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.08 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:00 (5324): wrapper (7.9.26016): starting
05:14:00 (5324): 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
05:14:02 (5324): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:14:02 (5324): 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\42\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\42\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
05:43:05 (5324): C:/Windows/system32/cmd.exe exited; CPU time 1647.515625
05:43:05 (5324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 26378159 bytes.
Dumping objects ->
{3835236} normal block at 0x000002012849E060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002012849DC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002012849DB20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000020126694B90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000020126694AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x00000201284E9280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x00000201266EADC0, 141 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) : {3835147} normal block at 0x000002012668EAC0, 8 bytes long.
 Data: <  &#195;&    > 00 00 C3 26 01 02 00 00 
{3834546} normal block at 0x00000201266EB440, 141 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 0x000002012668F380, 8 bytes long.
 Data: < IT(    > 90 49 54 28 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020126690D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020126685DF0, 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 0x0000020126695480, 16 bytes long.
 Data: <(fi&            > 28 66 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020126695390, 16 bytes long.
 Data: < fi&            > 00 66 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020126690520, 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 0x0000020126695F70, 16 bytes long.
 Data: <&#216;ei&            > D8 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000201266957A0, 16 bytes long.
 Data: <&#176;ei&            > B0 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020126695F20, 16 bytes long.
 Data: < ei&            > 88 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000201266958E0, 16 bytes long.
 Data: <`ei&            > 60 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020126694C00, 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 0x00000201266960B0, 16 bytes long.
 Data: <h h&            > 68 90 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002012668F860, 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 0x0000020126695750, 16 bytes long.
 Data: <@ h&            > 40 90 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201266957F0, 16 bytes long.
 Data: <  h&            > 18 90 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020126695ED0, 16 bytes long.
 Data: <&#240; h&            > F0 8F 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020126696290, 16 bytes long.
 Data: <&#200; h&            > C8 8F 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000201266953E0, 16 bytes long.
 Data: <&#160; h&            > A0 8F 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020126696240, 16 bytes long.
 Data: <x h&            > 78 8F 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002012668FF20, 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 0x0000020126695890, 16 bytes long.
 Data: <P h&            > 50 8F 68 26 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020126688F50, 320 bytes long.
 Data: < Xi&     &#255;h&    > 90 58 69 26 01 02 00 00 20 FF 68 26 01 02 00 00 
{276} normal block at 0x0000020126695D40, 16 bytes long.
 Data: <@ei&            > 40 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000201266961F0, 16 bytes long.
 Data: < ei&            > 18 65 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000201266901C0, 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 0x00000201266956B0, 16 bytes long.
 Data: <&#240;di&            > F0 64 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000201266905E0, 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 0x00000201266959D0, 16 bytes long.
 Data: <8di&            > 38 64 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020126695430, 16 bytes long.
 Data: < di&            > 10 64 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020126695B10, 16 bytes long.
 Data: <&#232;ci&            > E8 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020126695E30, 16 bytes long.
 Data: <&#192;ci&            > C0 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020126695840, 16 bytes long.
 Data: < ci&            > 98 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020126695520, 16 bytes long.
 Data: <pci&            > 70 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020126695340, 16 bytes long.
 Data: <`Ii&            > 60 49 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020126694960, 40 bytes long.
 Data: <@Si&     &#146;N(    > 40 53 69 26 01 02 00 00 80 92 4E 28 01 02 00 00 
{262} normal block at 0x00000201266961A0, 16 bytes long.
 Data: <Pci&            > 50 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020126696060, 16 bytes long.
 Data: <(ci&            > 28 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020126690640, 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 0x0000020126695700, 16 bytes long.
 Data: < ci&            > 00 63 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020126696300, 992 bytes long.
 Data: < Wi&    @ i&    > 00 57 69 26 01 02 00 00 40 06 69 26 01 02 00 00 
{94} normal block at 0x000002012668FDA0, 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 0x000002012668ED90, 16 bytes long.
 Data: <pLi&            > 70 4C 69 26 01 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020126694C70, 40 bytes long.
 Data: < &#237;h&    &#160;&#253;h&    > 90 ED 68 26 01 02 00 00 A0 FD 68 26 01 02 00 00 
{71} normal block at 0x000002012668F1F0, 16 bytes long.
 Data: < &#234;&#215; &#246;           > 80 EA D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002012668F650, 16 bytes long.
 Data: <@&#233;&#215; &#246;           > 40 E9 D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002012668E8E0, 16 bytes long.
 Data: <&#248;W&#212; &#246;           > F8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002012668F1A0, 16 bytes long.
 Data: <&#216;W&#212; &#246;           > D8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002012668F010, 16 bytes long.
 Data: <P &#212; &#246;           > 50 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002012668EC50, 16 bytes long.
 Data: <0 &#212; &#246;           > 30 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002012668F420, 16 bytes long.
 Data: <&#224; &#212; &#246;           > E0 02 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002012668E930, 16 bytes long.
 Data: <  &#212; &#246;           > 10 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002012668EB10, 16 bytes long.
 Data: <p &#212; &#246;           > 70 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002012668F150, 16 bytes long.
 Data: < &#192;&#210; &#246;           > 18 C0 D2 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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