Task 38683691

Name test_823-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6152_0
Workunit 31625242
Created 27 Oct 2026, 12:52:00 UTC
Sent 27 Oct 2026, 12:52:03 UTC
Report deadline 1 Nov 2026, 12:52:03 UTC
Received 27 Oct 2026, 13:24:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 42 sec
CPU time 23 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.80 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:00:53 (28384): wrapper (7.9.26016): starting
14:00:53 (28384): 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
14:00:54 (28384): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:54 (28384): 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\6\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\6\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
14:23:56 (28384): C:/Windows/system32/cmd.exe exited; CPU time 1406.156250
14:23:56 (28384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23411373 bytes.
Dumping objects ->
{3835329} normal block at 0x00000205273B42E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x00000205273B3B70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000205273B4350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x00000205273B3E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x00000205273B4580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000205273DF3E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000205256CF6E0, 140 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) : {3835240} normal block at 0x000002052566DB90, 8 bytes long.
 Data: <  _%    > 00 00 5F 25 05 02 00 00 
{3834594} normal block at 0x00000205256D0170, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002052566D820, 8 bytes long.
 Data: <P&#228;3'    > 50 E4 33 27 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020525671620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020525665EE0, 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 0x00000205256772D0, 16 bytes long.
 Data: <&#184;&#133;g%            > B8 85 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020525677DC0, 16 bytes long.
 Data: < &#133;g%            > 90 85 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002052566F990, 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 0x0000020525677C80, 16 bytes long.
 Data: <h&#133;g%            > 68 85 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020525677870, 16 bytes long.
 Data: <@&#133;g%            > 40 85 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020525678220, 16 bytes long.
 Data: < &#133;g%            > 18 85 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020525677410, 16 bytes long.
 Data: <&#240;&#132;g%            > F0 84 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020525676180, 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 0x0000020525677820, 16 bytes long.
 Data: < &#182;e%            > 88 B6 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002052566F930, 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 0x0000020525677F00, 16 bytes long.
 Data: <`&#182;e%            > 60 B6 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020525677730, 16 bytes long.
 Data: <8&#182;e%            > 38 B6 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205256781D0, 16 bytes long.
 Data: < &#182;e%            > 10 B6 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020525677E60, 16 bytes long.
 Data: <&#232;&#181;e%            > E8 B5 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020525677960, 16 bytes long.
 Data: <&#192;&#181;e%            > C0 B5 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020525677EB0, 16 bytes long.
 Data: < &#181;e%            > 98 B5 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002052566EC70, 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 0x0000020525677910, 16 bytes long.
 Data: <p&#181;e%            > 70 B5 65 25 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002052565B570, 320 bytes long.
 Data: < yg%    p&#236;f%    > 10 79 67 25 05 02 00 00 70 EC 66 25 05 02 00 00 
{279} normal block at 0x00000205256777D0, 16 bytes long.
 Data: <&#208;&#132;g%            > D0 84 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020525677B90, 16 bytes long.
 Data: <&#168;&#132;g%            > A8 84 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002052566EA90, 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 0x00000205256776E0, 16 bytes long.
 Data: < &#132;g%            > 80 84 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002052566F750, 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 0x0000020525677F50, 16 bytes long.
 Data: <&#200;&#131;g%            > C8 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020525677640, 16 bytes long.
 Data: <&#160;&#131;g%            > A0 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020525678180, 16 bytes long.
 Data: <x&#131;g%            > 78 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020525677500, 16 bytes long.
 Data: <P&#131;g%            > 50 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000205256775F0, 16 bytes long.
 Data: <(&#131;g%            > 28 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020525677C30, 16 bytes long.
 Data: < &#131;g%            > 00 83 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000205256774B0, 16 bytes long.
 Data: < ag%            > 10 61 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020525676110, 40 bytes long.
 Data: <&#176;tg%    &#224;&#243;='    > B0 74 67 25 05 02 00 00 E0 F3 3D 27 05 02 00 00 
{265} normal block at 0x00000205256775A0, 16 bytes long.
 Data: <&#224;&#130;g%            > E0 82 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020525677550, 16 bytes long.
 Data: <&#184;&#130;g%            > B8 82 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002052566EBB0, 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 0x0000020525677AA0, 16 bytes long.
 Data: < &#130;g%            > 90 82 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020525678290, 992 bytes long.
 Data: <&#160;zg%    &#176;&#235;f%    > A0 7A 67 25 05 02 00 00 B0 EB 66 25 05 02 00 00 
{97} normal block at 0x000002052566F510, 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 0x000002052566D1E0, 16 bytes long.
 Data: <P_g%            > 50 5F 67 25 05 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000020525675F50, 40 bytes long.
 Data: <&#224;&#209;f%     &#245;f%    > E0 D1 66 25 05 02 00 00 10 F5 66 25 05 02 00 00 
{74} normal block at 0x000002052566D190, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002052566DD20, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002052566DC80, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002052566DEB0, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002052566DAA0, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002052566D2D0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002052566DC30, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002052566D320, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002052566D910, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002052566D6E0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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