Task 38661182

Name test_329-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1765_0
Workunit 31604619
Created 24 Oct 2026, 15:20:26 UTC
Sent 24 Oct 2026, 17:09:23 UTC
Report deadline 29 Oct 2026, 17:09:23 UTC
Received 25 Oct 2026, 9:08:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 39 min 12 sec
CPU time 36 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.66 MB
Peak swap size 3.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:11:04 (17912): wrapper (7.9.26016): starting
19:11:04 (17912): 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
19:11:06 (17912): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:11:06 (17912): 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\0\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\0\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
19:48:51 (17912): C:/Windows/system32/cmd.exe exited; CPU time 2179.984375
19:48:51 (17912): 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: 36757718 bytes.
Dumping objects ->
{3835280} normal block at 0x0000028329D30C30, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000028329D30BC0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000028329D30AE0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x0000028329D31410, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000028329D31480, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000028329E46280, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000028329E5F320, 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) : {3835191} normal block at 0x00000283283BA590, 8 bytes long.
 Data: <  6(&#131;   > 00 00 36 28 83 02 00 00 
{3834566} normal block at 0x0000028329E5D660, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000283283BA450, 8 bytes long.
 Data: < a&#234;)&#131;   > 10 61 EA 29 83 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000283283C3A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000283283C4970, 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 0x00000283283C57E0, 16 bytes long.
 Data: < _<(&#131;           > 08 5F 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000283283C5790, 16 bytes long.
 Data: <&#224;^<(&#131;           > E0 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000283283BE6B0, 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 0x00000283283C5880, 16 bytes long.
 Data: <&#184;^<(&#131;           > B8 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000283283C5920, 16 bytes long.
 Data: < ^<(&#131;           > 90 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000283283C5380, 16 bytes long.
 Data: <h^<(&#131;           > 68 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000283283C52E0, 16 bytes long.
 Data: <@^<(&#131;           > 40 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000283283BF890, 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 0x00000283283C4CF0, 16 bytes long.
 Data: < I<(&#131;           > 08 49 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000283283BE5F0, 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 0x00000283283C5740, 16 bytes long.
 Data: <&#224;H<(&#131;           > E0 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000283283C56A0, 16 bytes long.
 Data: <&#184;H<(&#131;           > B8 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000283283C4E80, 16 bytes long.
 Data: < H<(&#131;           > 90 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000283283C59C0, 16 bytes long.
 Data: <hH<(&#131;           > 68 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000283283C5650, 16 bytes long.
 Data: <@H<(&#131;           > 40 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000283283C4D40, 16 bytes long.
 Data: < H<(&#131;           > 18 48 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000283283BE4D0, 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 0x00000283283C5970, 16 bytes long.
 Data: <&#240;G<(&#131;           > F0 47 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000283283C47F0, 320 bytes long.
 Data: <pY<(&#131;   &#208;&#228;;(&#131;   > 70 59 3C 28 83 02 00 00 D0 E4 3B 28 83 02 00 00 
{275} normal block at 0x00000283283C4F20, 16 bytes long.
 Data: < ^<(&#131;           > 20 5E 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000283283C4CA0, 16 bytes long.
 Data: <&#248;]<(&#131;           > F8 5D 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000283283BE950, 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 0x00000283283C51A0, 16 bytes long.
 Data: <&#208;]<(&#131;           > D0 5D 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000283283BEC50, 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 0x00000283283C56F0, 16 bytes long.
 Data: < ]<(&#131;           > 18 5D 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000283283C5010, 16 bytes long.
 Data: <&#240;\<(&#131;           > F0 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000283283C4C50, 16 bytes long.
 Data: <&#200;\<(&#131;           > C8 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000283283C55B0, 16 bytes long.
 Data: <&#160;\<(&#131;           > A0 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000283283C5470, 16 bytes long.
 Data: <x\<(&#131;           > 78 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000283283C5330, 16 bytes long.
 Data: <P\<(&#131;           > 50 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000283283C50B0, 16 bytes long.
 Data: <p&#249;;(&#131;           > 70 F9 3B 28 83 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000283283BF970, 40 bytes long.
 Data: <&#176;P<(&#131;    b&#228;)&#131;   > B0 50 3C 28 83 02 00 00 80 62 E4 29 83 02 00 00 
{261} normal block at 0x00000283283C5560, 16 bytes long.
 Data: <0\<(&#131;           > 30 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000283283C5830, 16 bytes long.
 Data: < \<(&#131;           > 08 5C 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000283283BE410, 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 0x00000283283C5290, 16 bytes long.
 Data: <&#224;[<(&#131;           > E0 5B 3C 28 83 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000283283C5BE0, 992 bytes long.
 Data: < R<(&#131;    &#228;;(&#131;   > 90 52 3C 28 83 02 00 00 10 E4 3B 28 83 02 00 00 
{93} normal block at 0x00000283283BEB30, 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 0x00000283283BA040, 16 bytes long.
 Data: < &#249;;(&#131;           > 00 F9 3B 28 83 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000283283BF900, 40 bytes long.
 Data: <@&#160;;(&#131;   0&#235;;(&#131;   > 40 A0 3B 28 83 02 00 00 30 EB 3B 28 83 02 00 00 
{70} normal block at 0x00000283283B9AF0, 16 bytes long.
 Data: < &#234;?&#231;&#247;           > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000283283B9DC0, 16 bytes long.
 Data: <@&#233;?&#231;&#247;           > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000283283B9D70, 16 bytes long.
 Data: <&#248;W<&#231;&#247;           > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000283283BA220, 16 bytes long.
 Data: <&#216;W<&#231;&#247;           > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000283283BA540, 16 bytes long.
 Data: <P <&#231;&#247;           > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000283283B9AA0, 16 bytes long.
 Data: <0 <&#231;&#247;           > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000283283B9FF0, 16 bytes long.
 Data: <&#224; <&#231;&#247;           > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000283283B9A00, 16 bytes long.
 Data: <  <&#231;&#247;           > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000283283B99B0, 16 bytes long.
 Data: <p <&#231;&#247;           > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000283283B9E10, 16 bytes long.
 Data: < &#192;:&#231;&#247;           > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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