Task 38668392

Name test_970-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8223_0
Workunit 31610923
Created 25 Oct 2026, 11:37:46 UTC
Sent 25 Oct 2026, 11:37:51 UTC
Report deadline 30 Oct 2026, 11:37:51 UTC
Received 25 Oct 2026, 12:04:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 37 sec
CPU time 25 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.13 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:39:35 (624): wrapper (7.9.26016): starting
06:39:35 (624): 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
06:39:36 (624): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:39:36 (624): 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
07:04:31 (624): C:/Windows/system32/cmd.exe exited; CPU time 1501.687500
07:04:31 (624): 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: 23290841 bytes.
Dumping objects ->
{3835550} normal block at 0x00000225A7755AF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000225A7755A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x00000225A7755A80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x00000225A7755690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x00000225A77555B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000225A942CBE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000225A948DF70, 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) : {3835461} normal block at 0x00000225A774E420, 8 bytes long.
 Data: <  n&#167;%   > 00 00 6E A7 25 02 00 00 
{3834683} normal block at 0x00000225A948E440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000225A774DCF0, 8 bytes long.
 Data: < SM&#169;%   > 90 53 4D A9 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000225A7750350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000225A77454B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000225A7754EF0, 16 bytes long.
 Data: <hTu&#167;%           > 68 54 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000225A7754680, 16 bytes long.
 Data: <@Tu&#167;%           > 40 54 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000225A774F220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000225A7754810, 16 bytes long.
 Data: < Tu&#167;%           > 18 54 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000225A7755030, 16 bytes long.
 Data: <&#240;Su&#167;%           > F0 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000225A7754EA0, 16 bytes long.
 Data: <&#200;Su&#167;%           > C8 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000225A7754B80, 16 bytes long.
 Data: <&#160;Su&#167;%           > A0 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000225A7755B60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000225A7754E50, 16 bytes long.
 Data: <8&#134;t&#167;%           > 38 86 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225A774F160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000225A7754310, 16 bytes long.
 Data: < &#134;t&#167;%           > 10 86 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000225A7754B30, 16 bytes long.
 Data: <&#232;&#133;t&#167;%           > E8 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000225A7754630, 16 bytes long.
 Data: <&#192;&#133;t&#167;%           > C0 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000225A77550D0, 16 bytes long.
 Data: < &#133;t&#167;%           > 98 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000225A77549F0, 16 bytes long.
 Data: <p&#133;t&#167;%           > 70 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000225A77542C0, 16 bytes long.
 Data: <H&#133;t&#167;%           > 48 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225A774F100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000225A77545E0, 16 bytes long.
 Data: < &#133;t&#167;%           > 20 85 74 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000225A7748520, 320 bytes long.
 Data: <&#224;Eu&#167;%    &#241;t&#167;%   > E0 45 75 A7 25 02 00 00 00 F1 74 A7 25 02 00 00 
{273} normal block at 0x00000225A7754AE0, 16 bytes long.
 Data: < Su&#167;%           > 80 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000225A7754270, 16 bytes long.
 Data: <XSu&#167;%           > 58 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000225A774EFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000225A7754220, 16 bytes long.
 Data: <0Su&#167;%           > 30 53 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000225A774F0A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000225A77541D0, 16 bytes long.
 Data: <xRu&#167;%           > 78 52 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225A7754E00, 16 bytes long.
 Data: <PRu&#167;%           > 50 52 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000225A7754DB0, 16 bytes long.
 Data: <(Ru&#167;%           > 28 52 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225A7754D60, 16 bytes long.
 Data: < Ru&#167;%           > 00 52 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000225A7755080, 16 bytes long.
 Data: <&#216;Qu&#167;%           > D8 51 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000225A7754FE0, 16 bytes long.
 Data: <&#176;Qu&#167;%           > B0 51 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225A7754D10, 16 bytes long.
 Data: < &#227;s&#167;%           > 20 E3 73 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000225A773E320, 40 bytes long.
 Data: < Mu&#167;%   &#224;&#203;B&#169;%   > 10 4D 75 A7 25 02 00 00 E0 CB 42 A9 25 02 00 00 
{259} normal block at 0x00000225A7754CC0, 16 bytes long.
 Data: < Qu&#167;%           > 90 51 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000225A7754C70, 16 bytes long.
 Data: <hQu&#167;%           > 68 51 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000225A774F520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000225A7754720, 16 bytes long.
 Data: <@Qu&#167;%           > 40 51 75 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000225A7755140, 992 bytes long.
 Data: < Gu&#167;%    &#245;t&#167;%   > 20 47 75 A7 25 02 00 00 20 F5 74 A7 25 02 00 00 
{91} normal block at 0x00000225A774F6A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000225A774DD90, 16 bytes long.
 Data: <0&#220;s&#167;%           > 30 DC 73 A7 25 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000225A773DC30, 40 bytes long.
 Data: < &#221;t&#167;%   &#160;&#246;t&#167;%   > 90 DD 74 A7 25 02 00 00 A0 F6 74 A7 25 02 00 00 
{68} normal block at 0x00000225A774E060, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000225A774E970, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000225A774E010, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000225A774E290, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000225A774EAB0, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000225A774E3D0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000225A774E8D0, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000225A774E1A0, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000225A774DDE0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000225A774DF70, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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