Task 38687613

Name test_699-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5028_0
Workunit 31628997
Created 28 Oct 2026, 8:45:12 UTC
Sent 28 Oct 2026, 8:45:16 UTC
Report deadline 2 Nov 2026, 8:45:16 UTC
Received 28 Oct 2026, 10:35:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 23 sec
CPU time 18 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.55 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:16:53 (25292): wrapper (7.9.26016): starting
11:16:53 (25292): 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
11:16:54 (25292): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:16:54 (25292): 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
11:35:36 (25292): C:/Windows/system32/cmd.exe exited; CPU time 1106.734375
11:35:36 (25292): 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: 19148141 bytes.
Dumping objects ->
{3835519} normal block at 0x0000022037794280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000220377947C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x0000022037794440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x0000022037793CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000022037794910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x00000220377670B0, 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) : {3835431} normal block at 0x00000220359EEF00, 8 bytes long.
 Data: <   5    > 00 00 98 35 20 02 00 00 
{3833967} normal block at 0x00000220359EE7D0, 8 bytes long.
 Data: <pd&#159;5    > 70 64 9F 35 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000220359F24A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000220359E7500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000220359F78A0, 16 bytes long.
 Data: <&#184;~&#159;5            > B8 7E 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000220359F7350, 16 bytes long.
 Data: < ~&#159;5            > 90 7E 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000220359F06F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000220359F73F0, 16 bytes long.
 Data: <h~&#159;5            > 68 7E 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000220359F7760, 16 bytes long.
 Data: <@~&#159;5            > 40 7E 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000220359F7030, 16 bytes long.
 Data: < ~&#159;5            > 18 7E 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000220359F7710, 16 bytes long.
 Data: <&#240;}&#159;5            > F0 7D 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000220359F5460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000220359F7580, 16 bytes long.
 Data: <&#248;&#243; 5            > F8 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000220359F0C90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000220359F7B20, 16 bytes long.
 Data: <&#208;&#243; 5            > D0 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000220359F7A80, 16 bytes long.
 Data: <&#168;&#243; 5            > A8 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000220359F7300, 16 bytes long.
 Data: < &#243; 5            > 80 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000220359F76C0, 16 bytes long.
 Data: <X&#243; 5            > 58 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000220359F72B0, 16 bytes long.
 Data: <0&#243; 5            > 30 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000220359F6FE0, 16 bytes long.
 Data: < &#243; 5            > 08 F3 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000220359F0750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000220359F6CC0, 16 bytes long.
 Data: <&#224;&#242; 5            > E0 F2 9D 35 20 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000220359DF2E0, 320 bytes long.
 Data: <&#192;l&#159;5    P &#159;5    > C0 6C 9F 35 20 02 00 00 50 07 9F 35 20 02 00 00 
{279} normal block at 0x00000220359F7850, 16 bytes long.
 Data: <&#208;}&#159;5            > D0 7D 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000220359F7800, 16 bytes long.
 Data: <&#168;}&#159;5            > A8 7D 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000220359F0570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000220359F77B0, 16 bytes long.
 Data: < }&#159;5            > 80 7D 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000220359F0BD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000220359F7990, 16 bytes long.
 Data: <&#200;|&#159;5            > C8 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000220359F7210, 16 bytes long.
 Data: <&#160;|&#159;5            > A0 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000220359F7670, 16 bytes long.
 Data: <x|&#159;5            > 78 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000220359F6E50, 16 bytes long.
 Data: <P|&#159;5            > 50 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000220359F7490, 16 bytes long.
 Data: <(|&#159;5            > 28 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000220359F78F0, 16 bytes long.
 Data: < |&#159;5            > 00 7C 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000220359F6DB0, 16 bytes long.
 Data: <&#224;W&#159;5            > E0 57 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000220359F57E0, 40 bytes long.
 Data: <&#176;m&#159;5    &#176;pv7    > B0 6D 9F 35 20 02 00 00 B0 70 76 37 20 02 00 00 
{265} normal block at 0x00000220359F6C70, 16 bytes long.
 Data: <&#224;{&#159;5            > E0 7B 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000220359F6EA0, 16 bytes long.
 Data: <&#184;{&#159;5            > B8 7B 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000220359F09F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000220359F6BD0, 16 bytes long.
 Data: < {&#159;5            > 90 7B 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000220359F7B90, 992 bytes long.
 Data: <&#208;k&#159;5    &#240;	&#159;5    > D0 6B 9F 35 20 02 00 00 F0 09 9F 35 20 02 00 00 
{97} normal block at 0x00000220359F0510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000220359EE730, 16 bytes long.
 Data: < Z&#159;5            > 80 5A 9F 35 20 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000220359F5A80, 40 bytes long.
 Data: <0&#231;&#158;5      &#159;5    > 30 E7 9E 35 20 02 00 00 10 05 9F 35 20 02 00 00 
{74} normal block at 0x00000220359EE780, 16 bytes long.
 Data: < &#234;&#230;&#228;&#246;           > 80 EA E6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000220359EE9B0, 16 bytes long.
 Data: <@&#233;&#230;&#228;&#246;           > 40 E9 E6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000220359EEC30, 16 bytes long.
 Data: <&#248;W&#227;&#228;&#246;           > F8 57 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000220359EE6E0, 16 bytes long.
 Data: <&#216;W&#227;&#228;&#246;           > D8 57 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000220359EF130, 16 bytes long.
 Data: <P &#227;&#228;&#246;           > 50 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000220359EEC80, 16 bytes long.
 Data: <0 &#227;&#228;&#246;           > 30 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000220359EF590, 16 bytes long.
 Data: <&#224; &#227;&#228;&#246;           > E0 02 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000220359EF5E0, 16 bytes long.
 Data: <  &#227;&#228;&#246;           > 10 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000220359EE690, 16 bytes long.
 Data: <p &#227;&#228;&#246;           > 70 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000220359EEBE0, 16 bytes long.
 Data: < &#192;&#225;&#228;&#246;           > 18 C0 E1 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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