Task 38672249

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0064_0
Workunit 31614408
Created 25 Oct 2026, 22:52:25 UTC
Sent 25 Oct 2026, 22:52:35 UTC
Report deadline 30 Oct 2026, 22:52:35 UTC
Received 26 Oct 2026, 0:33:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 57 min 51 sec
CPU time 57 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.07 MB
Peak swap size 18.91 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
00:38:57 (11488): wrapper (7.9.26016): starting
00:38:57 (11488): 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
00:39:00 (11488): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:39:00 (11488): 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\195\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\195\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
01:32:35 (11488): C:/Windows/system32/cmd.exe exited; CPU time 3471.890625
01:32:35 (11488): 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: 87707539 bytes.
Dumping objects ->
{3835226} normal block at 0x000001E795E88E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001E795E89320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001E795E88B40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000001E795E88830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001E795E89160, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000001E797CFC2E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000001E797BFD810, 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) : {3835137} normal block at 0x000001E795E64520, 8 bytes long.
 Data: <  &#173;&#151;&#231;   > 00 00 AD 97 E7 01 00 00 
{3834534} normal block at 0x000001E797BFE100, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001E795E64BB0, 8 bytes long.
 Data: <&#240;f&#228;&#149;&#231;   > F0 66 E4 95 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E795E4BE80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E795E448B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001E795E64700, 16 bytes long.
 Data: <(+&#230;&#149;&#231;           > 28 2B E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E795E64750, 16 bytes long.
 Data: < +&#230;&#149;&#231;           > 00 2B E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E795E5A180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001E795E644D0, 16 bytes long.
 Data: <&#216;*&#230;&#149;&#231;           > D8 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E795E64390, 16 bytes long.
 Data: <&#176;*&#230;&#149;&#231;           > B0 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E795E643E0, 16 bytes long.
 Data: < *&#230;&#149;&#231;           > 88 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E795E64F20, 16 bytes long.
 Data: <`*&#230;&#149;&#231;           > 60 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E795E618B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001E795E64200, 16 bytes long.
 Data: <HH&#228;&#149;&#231;           > 48 48 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E795E5A540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001E795E649D0, 16 bytes long.
 Data: < H&#228;&#149;&#231;           > 20 48 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E795E641B0, 16 bytes long.
 Data: <&#248;G&#228;&#149;&#231;           > F8 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E795E646B0, 16 bytes long.
 Data: <&#208;G&#228;&#149;&#231;           > D0 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E795E640C0, 16 bytes long.
 Data: <&#168;G&#228;&#149;&#231;           > A8 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E795E64ED0, 16 bytes long.
 Data: < G&#228;&#149;&#231;           > 80 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E795E64DE0, 16 bytes long.
 Data: <XG&#228;&#149;&#231;           > 58 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E795E59F40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001E795E64840, 16 bytes long.
 Data: <0G&#228;&#149;&#231;           > 30 47 E4 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E795E44730, 320 bytes long.
 Data: <@H&#230;&#149;&#231;   @&#159;&#229;&#149;&#231;   > 40 48 E6 95 E7 01 00 00 40 9F E5 95 E7 01 00 00 
{270} normal block at 0x000001E795E64B60, 16 bytes long.
 Data: <@*&#230;&#149;&#231;           > 40 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E795E64F70, 16 bytes long.
 Data: < *&#230;&#149;&#231;           > 18 2A E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E795E5A0C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001E795E64B10, 16 bytes long.
 Data: <&#240;)&#230;&#149;&#231;           > F0 29 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E795E5A480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001E795E64D40, 16 bytes long.
 Data: <8)&#230;&#149;&#231;           > 38 29 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E795E64FC0, 16 bytes long.
 Data: < )&#230;&#149;&#231;           > 10 29 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E795E64CA0, 16 bytes long.
 Data: <&#232;(&#230;&#149;&#231;           > E8 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E795E64E30, 16 bytes long.
 Data: <&#192;(&#230;&#149;&#231;           > C0 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E795E64D90, 16 bytes long.
 Data: < (&#230;&#149;&#231;           > 98 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E795E64C50, 16 bytes long.
 Data: <p(&#230;&#149;&#231;           > 70 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E795E645C0, 16 bytes long.
 Data: <  &#230;&#149;&#231;           > 10 1D E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E795E61D10, 40 bytes long.
 Data: <&#192;E&#230;&#149;&#231;   &#224;&#194;&#207;&#151;&#231;   > C0 45 E6 95 E7 01 00 00 E0 C2 CF 97 E7 01 00 00 
{256} normal block at 0x000001E795E64570, 16 bytes long.
 Data: <P(&#230;&#149;&#231;           > 50 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E795E64070, 16 bytes long.
 Data: <((&#230;&#149;&#231;           > 28 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E795E5A720, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001E795E64340, 16 bytes long.
 Data: < (&#230;&#149;&#231;           > 00 28 E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E795E62800, 992 bytes long.
 Data: <@C&#230;&#149;&#231;    &#167;&#229;&#149;&#231;   > 40 43 E6 95 E7 01 00 00 20 A7 E5 95 E7 01 00 00 
{88} normal block at 0x000001E795E59BE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001E795E64980, 16 bytes long.
 Data: <&#160; &#230;&#149;&#231;           > A0 1C E6 95 E7 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001E795E61CA0, 40 bytes long.
 Data: < I&#230;&#149;&#231;   &#224;&#155;&#229;&#149;&#231;   > 80 49 E6 95 E7 01 00 00 E0 9B E5 95 E7 01 00 00 
{65} normal block at 0x000001E795E58EF0, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E795E58DB0, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E795E58EA0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E795E58D60, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E795E58C70, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E795E58C20, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E795E587C0, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E795E59260, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E795E58BD0, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E795E59620, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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