Task 38688348

Name test_841-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2316_0
Workunit 31629703
Created 28 Oct 2026, 13:16:50 UTC
Sent 28 Oct 2026, 13:16:53 UTC
Report deadline 2 Nov 2026, 13:16:53 UTC
Received 28 Oct 2026, 13:49:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 31 min 33 sec
CPU time 28 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.90 MB
Peak swap size 14.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:19:03 (23796): wrapper (7.9.26016): starting
14:19:03 (23796): 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
14:19:05 (23796): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:19:05 (23796): 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_GPUGRID\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_GPUGRID\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
14:48:56 (23796): C:/Windows/system32/cmd.exe exited; CPU time 1707.156250
14:48:56 (23796): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 26999821 bytes.
Dumping objects ->
{3835309} normal block at 0x0000022A5A98B240, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x0000022A58A05700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x0000022A58A05620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x0000022A58A055B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000022A58A054D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x0000022A5A98ABC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000022A5A9E6940, 180 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) : {3835220} normal block at 0x0000022A589FDA80, 8 bytes long.
 Data: <   Y*   > 00 00 18 59 2A 02 00 00 
{3834594} normal block at 0x0000022A5A9E6FD0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022A589FE3E0, 8 bytes long.
 Data: <@&#170; X*   > 40 AA A2 58 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022A58A02030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A589F6E30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022A58A060E0, 16 bytes long.
 Data: <ho&#160;X*           > 68 6F A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022A58A06720, 16 bytes long.
 Data: <@o&#160;X*           > 40 6F A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A589FF5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022A58A069A0, 16 bytes long.
 Data: < o&#160;X*           > 18 6F A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A58A06400, 16 bytes long.
 Data: <&#240;n&#160;X*           > F0 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A58A05DC0, 16 bytes long.
 Data: <&#200;n&#160;X*           > C8 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A58A065E0, 16 bytes long.
 Data: <&#160;n&#160;X*           > A0 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A58A05690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022A58A06B80, 16 bytes long.
 Data: <(&#247;&#158;X*           > 28 F7 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A589FFCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022A58A06770, 16 bytes long.
 Data: < &#247;&#158;X*           > 00 F7 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A58A06950, 16 bytes long.
 Data: <&#216;&#246;&#158;X*           > D8 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A58A05D20, 16 bytes long.
 Data: <&#176;&#246;&#158;X*           > B0 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A58A06AE0, 16 bytes long.
 Data: < &#246;&#158;X*           > 88 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A58A06A40, 16 bytes long.
 Data: <`&#246;&#158;X*           > 60 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A58A06A90, 16 bytes long.
 Data: <8&#246;&#158;X*           > 38 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A589FFF40, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000022A58A05D70, 16 bytes long.
 Data: < &#246;&#158;X*           > 10 F6 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A589EF610, 320 bytes long.
 Data: <p]&#160;X*   @ &#159;X*   > 70 5D A0 58 2A 02 00 00 40 FF 9F 58 2A 02 00 00 
{276} normal block at 0x0000022A58A05CD0, 16 bytes long.
 Data: < n&#160;X*           > 80 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A58A06900, 16 bytes long.
 Data: <Xn&#160;X*           > 58 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A589FF760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022A58A069F0, 16 bytes long.
 Data: <0n&#160;X*           > 30 6E A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A589FFBE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022A58A063B0, 16 bytes long.
 Data: <xm&#160;X*           > 78 6D A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A58A068B0, 16 bytes long.
 Data: <Pm&#160;X*           > 50 6D A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A58A06590, 16 bytes long.
 Data: <(m&#160;X*           > 28 6D A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A58A06540, 16 bytes long.
 Data: < m&#160;X*           > 00 6D A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A58A066D0, 16 bytes long.
 Data: <&#216;l&#160;X*           > D8 6C A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A58A06680, 16 bytes long.
 Data: <&#176;l&#160;X*           > B0 6C A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022A58A06BD0, 16 bytes long.
 Data: <0R&#160;X*           > 30 52 A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A58A05230, 40 bytes long.
 Data: <&#208;k&#160;X*   &#192;&#171; Z*   > D0 6B A0 58 2A 02 00 00 C0 AB 98 5A 2A 02 00 00 
{262} normal block at 0x0000022A58A05F00, 16 bytes long.
 Data: < l&#160;X*           > 90 6C A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A58A06B30, 16 bytes long.
 Data: <hl&#160;X*           > 68 6C A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A58A001E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022A58A06180, 16 bytes long.
 Data: <@l&#160;X*           > 40 6C A0 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022A58A06C40, 992 bytes long.
 Data: < a&#160;X*   &#224; &#160;X*   > 80 61 A0 58 2A 02 00 00 E0 01 A0 58 2A 02 00 00 
{94} normal block at 0x0000022A589FFB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022A589FE1B0, 16 bytes long.
 Data: <&#160;&#242;&#158;X*           > A0 F2 9E 58 2A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022A589EF2A0, 40 bytes long.
 Data: <&#176;&#225;&#159;X*    &#251;&#159;X*   > B0 E1 9F 58 2A 02 00 00 80 FB 9F 58 2A 02 00 00 
{71} normal block at 0x0000022A589FE070, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A589FDB70, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A589FDF80, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A589FE020, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A589FD7B0, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A589FE390, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A589FDFD0, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A589FE480, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A589FE570, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A589FE0C0, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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