Task 38668573

Name test_731-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6957_0
Workunit 31611060
Created 25 Oct 2026, 12:09:57 UTC
Sent 25 Oct 2026, 12:10:00 UTC
Report deadline 30 Oct 2026, 12:10:00 UTC
Received 26 Oct 2026, 21:23:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 58 min 27 sec
CPU time 53 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.38 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:26:04 (18696): wrapper (7.9.26016): starting
21:26:04 (18696): 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
21:26:05 (18696): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:26:05 (18696): 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\16\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\16\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
22:23:06 (18696): C:/Windows/system32/cmd.exe exited; CPU time 3234.937500
22:23:06 (18696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 57814365 bytes.
Dumping objects ->
{3835239} normal block at 0x000001E9525A41A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001E9525A42F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001E9525A40C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000001E9525A44B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001E9525A3FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000001E954314DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001E9525FC290, 144 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) : {3835150} normal block at 0x000001E95259E3A0, 8 bytes long.
 Data: <  &#193;R&#233;   > 00 00 C1 52 E9 01 00 00 
{3834550} normal block at 0x000001E9525FCB80, 144 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 0x000001E95259E1C0, 8 bytes long.
 Data: <`&#151;\R&#233;   > 60 97 5C 52 E9 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E9525A0640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E952595850, 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 0x000001E9525A49F0, 16 bytes long.
 Data: < \ZR&#233;           > 88 5C 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E9525A49A0, 16 bytes long.
 Data: <`\ZR&#233;           > 60 5C 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E95259F1D0, 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 0x000001E9525A5620, 16 bytes long.
 Data: <8\ZR&#233;           > 38 5C 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E9525A4E50, 16 bytes long.
 Data: < \ZR&#233;           > 10 5C 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E9525A4C20, 16 bytes long.
 Data: <&#232;[ZR&#233;           > E8 5B 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E9525A4EF0, 16 bytes long.
 Data: <&#192;[ZR&#233;           > C0 5B 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E9525A46E0, 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 0x000001E9525A51C0, 16 bytes long.
 Data: <x&#134;YR&#233;           > 78 86 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E95259F2F0, 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 0x000001E9525A4C70, 16 bytes long.
 Data: <P&#134;YR&#233;           > 50 86 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E9525A55D0, 16 bytes long.
 Data: <(&#134;YR&#233;           > 28 86 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E9525A4F90, 16 bytes long.
 Data: < &#134;YR&#233;           > 00 86 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E9525A5580, 16 bytes long.
 Data: <&#216;&#133;YR&#233;           > D8 85 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E9525A5760, 16 bytes long.
 Data: <&#176;&#133;YR&#233;           > B0 85 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E9525A5670, 16 bytes long.
 Data: < &#133;YR&#233;           > 88 85 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E95259FA70, 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 0x000001E9525A5440, 16 bytes long.
 Data: <`&#133;YR&#233;           > 60 85 59 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E952598560, 320 bytes long.
 Data: <@TZR&#233;   p&#250;YR&#233;   > 40 54 5A 52 E9 01 00 00 70 FA 59 52 E9 01 00 00 
{273} normal block at 0x000001E9525A5710, 16 bytes long.
 Data: <&#160;[ZR&#233;           > A0 5B 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E9525A5170, 16 bytes long.
 Data: <x[ZR&#233;           > 78 5B 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E95259F590, 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 0x000001E9525A4A40, 16 bytes long.
 Data: <P[ZR&#233;           > 50 5B 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E95259F950, 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 0x000001E9525A58F0, 16 bytes long.
 Data: < ZZR&#233;           > 98 5A 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E9525A58A0, 16 bytes long.
 Data: <pZZR&#233;           > 70 5A 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E9525A4BD0, 16 bytes long.
 Data: <HZZR&#233;           > 48 5A 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E9525A53F0, 16 bytes long.
 Data: < ZZR&#233;           > 20 5A 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E9525A57B0, 16 bytes long.
 Data: <&#248;YZR&#233;           > F8 59 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E9525A4EA0, 16 bytes long.
 Data: <&#208;YZR&#233;           > D0 59 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E9525A4B30, 16 bytes long.
 Data: < EZR&#233;           > 20 45 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E9525A4520, 40 bytes long.
 Data: <0KZR&#233;   &#192;M1T&#233;   > 30 4B 5A 52 E9 01 00 00 C0 4D 31 54 E9 01 00 00 
{259} normal block at 0x000001E9525A4DB0, 16 bytes long.
 Data: <&#176;YZR&#233;           > B0 59 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E9525A5850, 16 bytes long.
 Data: < YZR&#233;           > 88 59 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E95259EFF0, 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 0x000001E9525A4D60, 16 bytes long.
 Data: <`YZR&#233;           > 60 59 5A 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E9525A5960, 992 bytes long.
 Data: <`MZR&#233;   &#240;&#239;YR&#233;   > 60 4D 5A 52 E9 01 00 00 F0 EF 59 52 E9 01 00 00 
{91} normal block at 0x000001E95259EDB0, 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 0x000001E95259DCC0, 16 bytes long.
 Data: <&#240;&#237;XR&#233;           > F0 ED 58 52 E9 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001E95258EDF0, 40 bytes long.
 Data: <&#192;&#220;YR&#233;   &#176;&#237;YR&#233;   > C0 DC 59 52 E9 01 00 00 B0 ED 59 52 E9 01 00 00 
{68} normal block at 0x000001E95259E8A0, 16 bytes long.
 Data: < &#234;o7&#246;           > 80 EA 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E95259E0D0, 16 bytes long.
 Data: <@&#233;o7&#246;           > 40 E9 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E95259DE50, 16 bytes long.
 Data: <&#248;Wl7&#246;           > F8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E95259E170, 16 bytes long.
 Data: <&#216;Wl7&#246;           > D8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E95259EB20, 16 bytes long.
 Data: <P l7&#246;           > 50 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E95259E3F0, 16 bytes long.
 Data: <0 l7&#246;           > 30 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E95259E300, 16 bytes long.
 Data: <&#224; l7&#246;           > E0 02 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E95259DF40, 16 bytes long.
 Data: <  l7&#246;           > 10 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E95259DF90, 16 bytes long.
 Data: <p l7&#246;           > 70 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E95259E530, 16 bytes long.
 Data: < &#192;j7&#246;           > 18 C0 6A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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