Task 38684626

Name test_574-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8921_0
Workunit 31626134
Created 27 Oct 2026, 17:13:54 UTC
Sent 27 Oct 2026, 17:13:58 UTC
Report deadline 1 Nov 2026, 17:13:58 UTC
Received 27 Oct 2026, 17:34:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 47 sec
CPU time 16 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 775.38 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:17:19 (21132): wrapper (7.9.26016): starting
18:17:19 (21132): 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
18:17:20 (21132): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:17:20 (21132): 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\23\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\23\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
18:34:23 (21132): C:/Windows/system32/cmd.exe exited; CPU time 1012.359375
18:34:23 (21132): 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: 25955713 bytes.
Dumping objects ->
{3835552} normal block at 0x000001A226BFF6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x000001A226BFF730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x000001A224DA4CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x000001A224DA4BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001A224DA4B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x000001A226B9D5E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000001A226BB03D0, 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) : {3835463} normal block at 0x000001A224D9FD20, 8 bytes long.
 Data: <  .%&#162;   > 00 00 2E 25 A2 01 00 00 
{3834688} normal block at 0x000001A226BB05E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001A224D9FF50, 8 bytes long.
 Data: <&#176;&#228;&#194;&&#162;   > B0 E4 C2 26 A2 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A224DA0AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A224D96170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001A224DA5CA0, 16 bytes long.
 Data: < e&#218;$&#162;           > 88 65 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A224DA5B10, 16 bytes long.
 Data: <`e&#218;$&#162;           > 60 65 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A224D9F090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001A224DA5B60, 16 bytes long.
 Data: <8e&#218;$&#162;           > 38 65 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A224DA6150, 16 bytes long.
 Data: < e&#218;$&#162;           > 10 65 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A224DA5AC0, 16 bytes long.
 Data: <&#232;d&#218;$&#162;           > E8 64 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A224DA5DE0, 16 bytes long.
 Data: <&#192;d&#218;$&#162;           > C0 64 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A224DA4EF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001A224DA5840, 16 bytes long.
 Data: <&#200;&#229;&#217;$&#162;           > C8 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A224D9EF10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001A224DA5C50, 16 bytes long.
 Data: <&#160;&#229;&#217;$&#162;           > A0 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A224DA5570, 16 bytes long.
 Data: <x&#229;&#217;$&#162;           > 78 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A224DA5F20, 16 bytes long.
 Data: <P&#229;&#217;$&#162;           > 50 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A224DA5980, 16 bytes long.
 Data: <(&#229;&#217;$&#162;           > 28 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A224DA56B0, 16 bytes long.
 Data: < &#229;&#217;$&#162;           > 00 E5 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A224DA57F0, 16 bytes long.
 Data: <&#216;&#228;&#217;$&#162;           > D8 E4 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A224D9F570, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001A224DA5890, 16 bytes long.
 Data: <&#176;&#228;&#217;$&#162;           > B0 E4 D9 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A224D9E4B0, 320 bytes long.
 Data: < X&#218;$&#162;   p&#245;&#217;$&#162;   > 90 58 DA 24 A2 01 00 00 70 F5 D9 24 A2 01 00 00 
{277} normal block at 0x000001A224DA5E30, 16 bytes long.
 Data: <&#160;d&#218;$&#162;           > A0 64 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A224DA54D0, 16 bytes long.
 Data: <xd&#218;$&#162;           > 78 64 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A224D9EDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001A224DA6100, 16 bytes long.
 Data: <Pd&#218;$&#162;           > 50 64 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A224D9ED90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001A224DA5750, 16 bytes long.
 Data: < c&#218;$&#162;           > 98 63 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A224DA60B0, 16 bytes long.
 Data: <pc&#218;$&#162;           > 70 63 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A224DA52F0, 16 bytes long.
 Data: <Hc&#218;$&#162;           > 48 63 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A224DA5ED0, 16 bytes long.
 Data: < c&#218;$&#162;           > 20 63 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A224DA5A70, 16 bytes long.
 Data: <&#248;b&#218;$&#162;           > F8 62 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A224DA5C00, 16 bytes long.
 Data: <&#208;b&#218;$&#162;           > D0 62 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A224DA6060, 16 bytes long.
 Data: <PL&#218;$&#162;           > 50 4C DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A224DA4C50, 40 bytes long.
 Data: <``&#218;$&#162;   &#224;&#213;&#185;&&#162;   > 60 60 DA 24 A2 01 00 00 E0 D5 B9 26 A2 01 00 00 
{263} normal block at 0x000001A224DA5E80, 16 bytes long.
 Data: <&#176;b&#218;$&#162;           > B0 62 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A224DA5930, 16 bytes long.
 Data: < b&#218;$&#162;           > 88 62 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A224D9ED30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001A224DA6010, 16 bytes long.
 Data: <`b&#218;$&#162;           > 60 62 DA 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A224DA6260, 992 bytes long.
 Data: < `&#218;$&#162;   0&#237;&#217;$&#162;   > 10 60 DA 24 A2 01 00 00 30 ED D9 24 A2 01 00 00 
{95} normal block at 0x000001A224D9F210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001A224DA0090, 16 bytes long.
 Data: < &#229;&#216;$&#162;           > 90 E5 D8 24 A2 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A224D8E590, 40 bytes long.
 Data: <  &#218;$&#162;    &#242;&#217;$&#162;   > 90 00 DA 24 A2 01 00 00 10 F2 D9 24 A2 01 00 00 
{72} normal block at 0x000001A224D9FEB0, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A224D9F9B0, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A224DA0310, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A224D9FDC0, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A224D9F8C0, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A224DA04F0, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A224DA0630, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A224D9FC80, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A224D9FD70, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A224D9FF00, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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