Task 38680931

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7187_0
Workunit 31622626
Created 27 Oct 2026, 2:06:49 UTC
Sent 27 Oct 2026, 2:06:54 UTC
Report deadline 1 Nov 2026, 2:06:54 UTC
Received 27 Oct 2026, 3:35:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 41 min 8 sec
CPU time 38 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.45 MB
Peak swap size 12.88 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:54:16 (43672): wrapper (7.9.26016): starting
21:54:17 (43672): 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
21:54:19 (43672): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:19 (43672): 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\27\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\27\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
22:34:43 (43672): C:/Windows/system32/cmd.exe exited; CPU time 2285.703125
22:34:43 (43672): 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: 31648703 bytes.
Dumping objects ->
{3835571} normal block at 0x0000013DBAFD1020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x0000013DBAFD12C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835549} normal block at 0x0000013DBAFD14F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835538} normal block at 0x0000013DBAFD0B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835527} normal block at 0x0000013DBAFD1250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835496} normal block at 0x0000013DBB09B720, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835485} normal block at 0x0000013DBB0FC7E0, 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) : {3835481} normal block at 0x0000013DB93D70E0, 8 bytes long.
 Data: <  &#254;&#186;=   > 00 00 FE BA 3D 01 00 00 
{3834692} normal block at 0x0000013DBB0FC890, 102 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 0x0000013DB93D7090, 8 bytes long.
 Data: <P.F&#185;=   > 50 2E 46 B9 3D 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000013DB93E0E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013DB93CA9B0, 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 0x0000013DB93E27C0, 16 bytes long.
 Data: <&#168;4>&#185;=           > A8 34 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013DB93E1E10, 16 bytes long.
 Data: < 4>&#185;=           > 80 34 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013DB93DD520, 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 0x0000013DB93E2180, 16 bytes long.
 Data: <X4>&#185;=           > 58 34 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013DB93E2B80, 16 bytes long.
 Data: <04>&#185;=           > 30 34 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013DB93E2130, 16 bytes long.
 Data: < 4>&#185;=           > 08 34 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013DB93E2AE0, 16 bytes long.
 Data: <&#224;3>&#185;=           > E0 33 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013DB93DB610, 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 0x0000013DB93E2040, 16 bytes long.
 Data: <(&#186;<&#185;=           > 28 BA 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013DB93DD700, 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 0x0000013DB93E2450, 16 bytes long.
 Data: < &#186;<&#185;=           > 00 BA 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013DB93E1F50, 16 bytes long.
 Data: <&#216;&#185;<&#185;=           > D8 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013DB93E2900, 16 bytes long.
 Data: <&#176;&#185;<&#185;=           > B0 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013DB93E1FF0, 16 bytes long.
 Data: < &#185;<&#185;=           > 88 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013DB93E2400, 16 bytes long.
 Data: <`&#185;<&#185;=           > 60 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013DB93E2B30, 16 bytes long.
 Data: <8&#185;<&#185;=           > 38 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013DB93DD400, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000013DB93E2630, 16 bytes long.
 Data: < &#185;<&#185;=           > 10 B9 3C B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013DB93CB910, 320 bytes long.
 Data: <0&>&#185;=    &#212;=&#185;=   > 30 26 3E B9 3D 01 00 00 00 D4 3D B9 3D 01 00 00 
{270} normal block at 0x0000013DB93E1EB0, 16 bytes long.
 Data: <&#192;3>&#185;=           > C0 33 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013DB93E2090, 16 bytes long.
 Data: < 3>&#185;=           > 98 33 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013DB93DDA00, 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 0x0000013DB93E2A90, 16 bytes long.
 Data: <p3>&#185;=           > 70 33 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013DB93DDB80, 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 0x0000013DB93E28B0, 16 bytes long.
 Data: <&#184;2>&#185;=           > B8 32 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013DB93E1E60, 16 bytes long.
 Data: < 2>&#185;=           > 90 32 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013DB93E2860, 16 bytes long.
 Data: <h2>&#185;=           > 68 32 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013DB93E2770, 16 bytes long.
 Data: <@2>&#185;=           > 40 32 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013DB93E2720, 16 bytes long.
 Data: < 2>&#185;=           > 18 32 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013DB93E20E0, 16 bytes long.
 Data: <&#240;1>&#185;=           > F0 31 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013DB93E2D10, 16 bytes long.
 Data: <&#240;&#182;=&#185;=           > F0 B6 3D B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013DB93DB6F0, 40 bytes long.
 Data: < ->&#185;=    &#183;	&#187;=   > 10 2D 3E B9 3D 01 00 00 20 B7 09 BB 3D 01 00 00 
{256} normal block at 0x0000013DB93E2C20, 16 bytes long.
 Data: <&#208;1>&#185;=           > D0 31 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000013DB93E23B0, 16 bytes long.
 Data: <&#168;1>&#185;=           > A8 31 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000013DB93DD8E0, 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 0x0000013DB93E2BD0, 16 bytes long.
 Data: < 1>&#185;=           > 80 31 3E B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000013DB93E3180, 992 bytes long.
 Data: <&#208;+>&#185;=   &#224;&#216;=&#185;=   > D0 2B 3E B9 3D 01 00 00 E0 D8 3D B9 3D 01 00 00 
{88} normal block at 0x0000013DB93DD340, 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 0x0000013DB93D6FF0, 16 bytes long.
 Data: <&#160;&#181;=&#185;=           > A0 B5 3D B9 3D 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000013DB93DB5A0, 40 bytes long.
 Data: <&#240;o=&#185;=   @&#211;=&#185;=   > F0 6F 3D B9 3D 01 00 00 40 D3 3D B9 3D 01 00 00 
{65} normal block at 0x0000013DB93D6F00, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013DB93D6410, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013DB93D6500, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013DB93D6EB0, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013DB93D6B90, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013DB93D6F50, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000013DB93D6E60, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000013DB93D6960, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000013DB93D66E0, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000013DB93D6D20, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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