Task 38660058

Name test_233-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2425_0
Workunit 31603588
Created 24 Oct 2026, 13:44:41 UTC
Sent 24 Oct 2026, 14:18:47 UTC
Report deadline 29 Oct 2026, 14:18:47 UTC
Received 24 Oct 2026, 15:08:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 46 min
CPU time 40 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.69 MB
Peak swap size 3.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:59 (29688): wrapper (7.9.26016): starting
16:23:59 (29688): 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
16:24:01 (29688): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:24:01 (29688): 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\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 'C:\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
17:08:11 (29688): C:/Windows/system32/cmd.exe exited; CPU time 2407.734375
17:08:11 (29688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 44248003 bytes.
Dumping objects ->
{3835267} normal block at 0x000001B73BE456B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001B73BE455D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001B73BE45640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x000001B73BE45560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001B73BE45410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x000001B73DA0A6C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001B73DA1FA60, 102 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) : {3835178} normal block at 0x000001B73BE40180, 8 bytes long.
 Data: <  &#224;;&#183;   > 00 00 E0 3B B7 01 00 00 
{3834559} normal block at 0x000001B73DA1FBC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001B73BE402C0, 8 bytes long.
 Data: <0Z&#169;=&#183;   > 30 5A A9 3D B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B73BE3E930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B73BE2F5C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001B73BE46540, 16 bytes long.
 Data: < b&#228;;&#183;           > 18 62 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B73BE46E50, 16 bytes long.
 Data: <&#240;a&#228;;&#183;           > F0 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B73BE3E1A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001B73BE463B0, 16 bytes long.
 Data: <&#200;a&#228;;&#183;           > C8 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B73BE46400, 16 bytes long.
 Data: <&#160;a&#228;;&#183;           > A0 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B73BE468B0, 16 bytes long.
 Data: <xa&#228;;&#183;           > 78 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B73BE46B30, 16 bytes long.
 Data: <Pa&#228;;&#183;           > 50 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B73BE45480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001B73BE46BD0, 16 bytes long.
 Data: <X &#227;;&#183;           > 58 08 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B73BE3E140, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001B73BE46B80, 16 bytes long.
 Data: <0 &#227;;&#183;           > 30 08 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B73BE47210, 16 bytes long.
 Data: <  &#227;;&#183;           > 08 08 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B73BE46860, 16 bytes long.
 Data: <&#224; &#227;;&#183;           > E0 07 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B73BE46D10, 16 bytes long.
 Data: <&#184; &#227;;&#183;           > B8 07 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B73BE46D60, 16 bytes long.
 Data: <  &#227;;&#183;           > 90 07 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B73BE46EA0, 16 bytes long.
 Data: <h &#227;;&#183;           > 68 07 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B73BE3DCC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001B73BE46680, 16 bytes long.
 Data: <@ &#227;;&#183;           > 40 07 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B73BE30740, 320 bytes long.
 Data: < f&#228;;&#183;   &#192;&#220;&#227;;&#183;   > 80 66 E4 3B B7 01 00 00 C0 DC E3 3B B7 01 00 00 
{274} normal block at 0x000001B73BE470D0, 16 bytes long.
 Data: <0a&#228;;&#183;           > 30 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B73BE46950, 16 bytes long.
 Data: < a&#228;;&#183;           > 08 61 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B73BE3E0E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001B73BE46C70, 16 bytes long.
 Data: <&#224;`&#228;;&#183;           > E0 60 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B73BE3E380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001B73BE464F0, 16 bytes long.
 Data: <(`&#228;;&#183;           > 28 60 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B73BE464A0, 16 bytes long.
 Data: < `&#228;;&#183;           > 00 60 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B73BE46450, 16 bytes long.
 Data: <&#216;_&#228;;&#183;           > D8 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B73BE46C20, 16 bytes long.
 Data: <&#176;_&#228;;&#183;           > B0 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B73BE47080, 16 bytes long.
 Data: < _&#228;;&#183;           > 88 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B73BE40DB0, 16 bytes long.
 Data: <`_&#228;;&#183;           > 60 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B73BE40950, 16 bytes long.
 Data: <&#224;X&#228;;&#183;           > E0 58 E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B73BE458E0, 40 bytes long.
 Data: <P	&#228;;&#183;   &#192;&#166;&#160;=&#183;   > 50 09 E4 3B B7 01 00 00 C0 A6 A0 3D B7 01 00 00 
{260} normal block at 0x000001B73BE40720, 16 bytes long.
 Data: <@_&#228;;&#183;           > 40 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B73BE40680, 16 bytes long.
 Data: < _&#228;;&#183;           > 18 5F E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B73BE3E440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001B73BE40810, 16 bytes long.
 Data: <&#240;^&#228;;&#183;           > F0 5E E4 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B73BE45EF0, 992 bytes long.
 Data: <  &#228;;&#183;   @&#228;&#227;;&#183;   > 10 08 E4 3B B7 01 00 00 40 E4 E3 3B B7 01 00 00 
{92} normal block at 0x000001B73BE3DF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001B73BE40630, 16 bytes long.
 Data: <&#208; &#227;;&#183;           > D0 04 E3 3B B7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B73BE304D0, 40 bytes long.
 Data: <0 &#228;;&#183;    &#223;&#227;;&#183;   > 30 06 E4 3B B7 01 00 00 00 DF E3 3B B7 01 00 00 
{69} normal block at 0x000001B73BE40CC0, 16 bytes long.
 Data: < &#234;?#&#246;           > 80 EA 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B73BE40040, 16 bytes long.
 Data: <@&#233;?#&#246;           > 40 E9 3F 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B73BE404A0, 16 bytes long.
 Data: <&#248;W<#&#246;           > F8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B73BE40C20, 16 bytes long.
 Data: <&#216;W<#&#246;           > D8 57 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B73BE409A0, 16 bytes long.
 Data: <P <#&#246;           > 50 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B73BE400E0, 16 bytes long.
 Data: <0 <#&#246;           > 30 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B73BE408B0, 16 bytes long.
 Data: <&#224; <#&#246;           > E0 02 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B73BE40B80, 16 bytes long.
 Data: <  <#&#246;           > 10 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B73BE40090, 16 bytes long.
 Data: <p <#&#246;           > 70 04 3C 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B73BE40A90, 16 bytes long.
 Data: < &#192;:#&#246;           > 18 C0 3A 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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