Task 38676396

Name test_352-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2119_0
Workunit 31618317
Created 26 Oct 2026, 11:12:52 UTC
Sent 26 Oct 2026, 11:13:00 UTC
Report deadline 31 Oct 2026, 11:13:00 UTC
Received 26 Oct 2026, 13:07:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627736
Run time 1 hours 21 min 21 sec
CPU time 1 hours 20 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.61 MB
Peak swap size 9.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:45:42 (35912): wrapper (7.9.26016): starting
06:45:42 (35912): 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
06:45:43 (35912): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:45:43 (35912): 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\2\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\2\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
08:06:03 (35912): C:/Windows/system32/cmd.exe exited; CPU time 4817.562500
08:06:03 (35912): 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: 89180041 bytes.
Dumping objects ->
{3835186} normal block at 0x00000203FF77CC70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000203FEF14590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x00000203FEF143D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x00000203FEF14A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x00000203FEF149F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x00000203FF7C7E20, 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) : {3835098} normal block at 0x00000203FEF0F050, 8 bytes long.
 Data: <  &#234;&#254;    > 00 00 EA FE 03 02 00 00 
{3833959} normal block at 0x00000203FEF0EC90, 8 bytes long.
 Data: <&#208;;&#130;&#255;    > D0 3B 82 FF 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000203FEF10580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000203FEF06210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000203FEF15300, 16 bytes long.
 Data: < d&#241;&#254;            > 08 64 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000203FEF15710, 16 bytes long.
 Data: <&#224;c&#241;&#254;            > E0 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000203FEF0F430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000203FEF16020, 16 bytes long.
 Data: <&#184;c&#241;&#254;            > B8 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000203FEF15C10, 16 bytes long.
 Data: < c&#241;&#254;            > 90 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000203FEF15A80, 16 bytes long.
 Data: <hc&#241;&#254;            > 68 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000203FEF15800, 16 bytes long.
 Data: <@c&#241;&#254;            > 40 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000203FEF14980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000203FEF15490, 16 bytes long.
 Data: <&#216; &#240;&#254;            > D8 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000203FEF0F970, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000203FEF156C0, 16 bytes long.
 Data: <&#176; &#240;&#254;            > B0 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000203FEF159E0, 16 bytes long.
 Data: <  &#240;&#254;            > 88 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203FEF15440, 16 bytes long.
 Data: <` &#240;&#254;            > 60 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000203FEF155D0, 16 bytes long.
 Data: <8 &#240;&#254;            > 38 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000203FEF15210, 16 bytes long.
 Data: <  &#240;&#254;            > 10 8D F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203FEF15670, 16 bytes long.
 Data: <&#232;&#140;&#240;&#254;            > E8 8C F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000203FEF10090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000203FEF15990, 16 bytes long.
 Data: <&#192;&#140;&#240;&#254;            > C0 8C F0 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000203FEF08CC0, 320 bytes long.
 Data: < Y&#241;&#254;      &#241;&#254;    > 90 59 F1 FE 03 02 00 00 90 00 F1 FE 03 02 00 00 
{275} normal block at 0x00000203FEF151C0, 16 bytes long.
 Data: < c&#241;&#254;            > 20 63 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000203FEF15DA0, 16 bytes long.
 Data: <&#248;b&#241;&#254;            > F8 62 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203FEF0F6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000203FEF15580, 16 bytes long.
 Data: <&#208;b&#241;&#254;            > D0 62 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000203FEF10210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000203FEF15940, 16 bytes long.
 Data: < b&#241;&#254;            > 18 62 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000203FEF158F0, 16 bytes long.
 Data: <&#240;a&#241;&#254;            > F0 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203FEF15F30, 16 bytes long.
 Data: <&#200;a&#241;&#254;            > C8 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000203FEF153F0, 16 bytes long.
 Data: <&#160;a&#241;&#254;            > A0 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000203FEF16070, 16 bytes long.
 Data: <xa&#241;&#254;            > 78 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000203FEF15D50, 16 bytes long.
 Data: <Pa&#241;&#254;            > 50 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000203FEF15C60, 16 bytes long.
 Data: <&#192;G&#241;&#254;            > C0 47 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000203FEF147C0, 40 bytes long.
 Data: <`\&#241;&#254;     ~|&#255;    > 60 5C F1 FE 03 02 00 00 20 7E 7C FF 03 02 00 00 
{261} normal block at 0x00000203FEF15120, 16 bytes long.
 Data: <0a&#241;&#254;            > 30 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000203FEF153A0, 16 bytes long.
 Data: < a&#241;&#254;            > 08 61 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000203FEF0F490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000203FEF15350, 16 bytes long.
 Data: <&#224;`&#241;&#254;            > E0 60 F1 FE 03 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000203FEF160E0, 992 bytes long.
 Data: <PS&#241;&#254;     &#244;&#240;&#254;    > 50 53 F1 FE 03 02 00 00 90 F4 F0 FE 03 02 00 00 
{93} normal block at 0x00000203FEF0F610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000203FEF0EE70, 16 bytes long.
 Data: < &#229;&#239;&#254;            > 20 E5 EF FE 03 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000203FEEFE520, 40 bytes long.
 Data: <p&#238;&#240;&#254;     &#246;&#240;&#254;    > 70 EE F0 FE 03 02 00 00 10 F6 F0 FE 03 02 00 00 
{70} normal block at 0x00000203FEF0F230, 16 bytes long.
 Data: < &#234;&#236;&#151;&#246;           > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000203FEF0EA60, 16 bytes long.
 Data: <@&#233;&#236;&#151;&#246;           > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000203FEF0EF10, 16 bytes long.
 Data: <&#248;W&#233;&#151;&#246;           > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000203FEF0EDD0, 16 bytes long.
 Data: <&#216;W&#233;&#151;&#246;           > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000203FEF0E5B0, 16 bytes long.
 Data: <P &#233;&#151;&#246;           > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000203FEF0F0F0, 16 bytes long.
 Data: <0 &#233;&#151;&#246;           > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000203FEF0F1E0, 16 bytes long.
 Data: <&#224; &#233;&#151;&#246;           > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000203FEF0F370, 16 bytes long.
 Data: <  &#233;&#151;&#246;           > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000203FEF0ED80, 16 bytes long.
 Data: <p &#233;&#151;&#246;           > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000203FEF0F320, 16 bytes long.
 Data: < &#192;&#231;&#151;&#246;           > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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