Task 38682816

Name test_776-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7159_0
Workunit 31624409
Created 27 Oct 2026, 9:15:08 UTC
Sent 27 Oct 2026, 9:15:27 UTC
Report deadline 1 Nov 2026, 9:15:27 UTC
Received 27 Oct 2026, 10:16:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 23 sec
CPU time 28 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.90 MB
Peak swap size 6.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:47:16 (1916): wrapper (7.9.26016): starting
04:47:16 (1916): 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
04:47:18 (1916): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:47:18 (1916): 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
05:16:03 (1916): C:/Windows/system32/cmd.exe exited; CPU time 1695.437500
05:16:03 (1916): 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: 21722163 bytes.
Dumping objects ->
{3835234} normal block at 0x00000238DC41EAC0, 48 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 0x00000238DA6E5EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000238DA6E5E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000238DA6E5E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000238DA6E5DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000238DC469990, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000238DC47FED0, 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) : {3835145} normal block at 0x00000238DA6DF6F0, 8 bytes long.
 Data: <  &#180;&#218;8   > 00 00 B4 DA 38 02 00 00 
{3834542} normal block at 0x00000238DC47FC10, 102 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 0x00000238DA6DFC40, 8 bytes long.
 Data: < &#131;K&#220;8   > 20 83 4B DC 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000238DA6E1B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000238DA6D7360, 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 0x00000238DA6E6310, 16 bytes long.
 Data: <&#248;un&#218;8           > F8 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000238DA6E7210, 16 bytes long.
 Data: <&#208;un&#218;8           > D0 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000238DA6E0B20, 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 0x00000238DA6E6D60, 16 bytes long.
 Data: <&#168;un&#218;8           > A8 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000238DA6E71C0, 16 bytes long.
 Data: < un&#218;8           > 80 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000238DA6E6D10, 16 bytes long.
 Data: <Xun&#218;8           > 58 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000238DA6E63B0, 16 bytes long.
 Data: <0un&#218;8           > 30 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000238DA6E5D30, 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 0x00000238DA6E7170, 16 bytes long.
 Data: < &#244;m&#218;8           > 18 F4 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000238DA6E06A0, 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 0x00000238DA6E6360, 16 bytes long.
 Data: <&#240;&#243;m&#218;8           > F0 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000238DA6E6900, 16 bytes long.
 Data: <&#200;&#243;m&#218;8           > C8 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000238DA6E6C20, 16 bytes long.
 Data: <&#160;&#243;m&#218;8           > A0 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000238DA6E70D0, 16 bytes long.
 Data: <x&#243;m&#218;8           > 78 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000238DA6E69A0, 16 bytes long.
 Data: <P&#243;m&#218;8           > 50 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000238DA6E6FE0, 16 bytes long.
 Data: <(&#243;m&#218;8           > 28 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000238DA6E0D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000238DA6E7260, 16 bytes long.
 Data: < &#243;m&#218;8           > 00 F3 6D DA 38 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000238DA6DF300, 320 bytes long.
 Data: <`rn&#218;8     n&#218;8   > 60 72 6E DA 38 02 00 00 00 0D 6E DA 38 02 00 00 
{276} normal block at 0x00000238DA6E6F40, 16 bytes long.
 Data: < un&#218;8           > 10 75 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000238DA6E6E00, 16 bytes long.
 Data: <&#232;tn&#218;8           > E8 74 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000238DA6E0940, 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 0x00000238DA6E6EA0, 16 bytes long.
 Data: <&#192;tn&#218;8           > C0 74 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000238DA6E0EE0, 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 0x00000238DA6E6CC0, 16 bytes long.
 Data: < tn&#218;8           > 08 74 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000238DA6E6EF0, 16 bytes long.
 Data: <&#224;sn&#218;8           > E0 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000238DA6E6BD0, 16 bytes long.
 Data: <&#184;sn&#218;8           > B8 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000238DA6E7080, 16 bytes long.
 Data: < sn&#218;8           > 90 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000238DA6E6C70, 16 bytes long.
 Data: <hsn&#218;8           > 68 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000238DA6E6F90, 16 bytes long.
 Data: <@sn&#218;8           > 40 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000238DA6E6DB0, 16 bytes long.
 Data: <@Yn&#218;8           > 40 59 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000238DA6E5940, 40 bytes long.
 Data: <&#176;mn&#218;8     F&#220;8   > B0 6D 6E DA 38 02 00 00 90 99 46 DC 38 02 00 00 
{262} normal block at 0x00000238DA6E7120, 16 bytes long.
 Data: < sn&#218;8           > 20 73 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000238DA6E6450, 16 bytes long.
 Data: <&#248;rn&#218;8           > F8 72 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000238DA6E0580, 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 0x00000238DA6E7030, 16 bytes long.
 Data: <&#208;rn&#218;8           > D0 72 6E DA 38 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000238DA6E72D0, 992 bytes long.
 Data: <0pn&#218;8     n&#218;8   > 30 70 6E DA 38 02 00 00 80 05 6E DA 38 02 00 00 
{94} normal block at 0x00000238DA6E1300, 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 0x00000238DA6DF560, 16 bytes long.
 Data: <0&#230;l&#218;8           > 30 E6 6C DA 38 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000238DA6CE630, 40 bytes long.
 Data: <`&#245;m&#218;8     n&#218;8   > 60 F5 6D DA 38 02 00 00 00 13 6E DA 38 02 00 00 
{71} normal block at 0x00000238DA6DFBA0, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000238DA6DF8D0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000238DA6DF740, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000238DA6DFD80, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000238DA6DFE70, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000238DA6E02D0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000238DA6DF6A0, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000238DA6E0280, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000238DA6E0320, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000238DA6DF830, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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