Task 38679674

Name test_127-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3164_0
Workunit 31621440
Created 26 Oct 2026, 21:21:29 UTC
Sent 26 Oct 2026, 21:21:34 UTC
Report deadline 31 Oct 2026, 21:21:34 UTC
Received 26 Oct 2026, 22:53:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 24 sec
CPU time 36 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.90 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:16:21 (14316): wrapper (7.9.26016): starting
23:16:21 (14316): 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
23:16:22 (14316): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:16:22 (14316): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
23:52:47 (14316): C:/Windows/system32/cmd.exe exited; CPU time 2199.187500
23:52:47 (14316): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26420641 bytes.
Dumping objects ->
{3835238} normal block at 0x0000020027E31440, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x0000020027E30DB0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x0000020027E30E20, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x0000020027E317C0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x0000020027E31910, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x0000020027F27770, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000200263EC1B0, 160 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) : {3835149} normal block at 0x00000200263F8A50, 8 bytes long.
 Data: <  =&    > 00 00 3D 26 00 02 00 00 
{3834546} normal block at 0x00000200263ECC30, 160 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 0x00000200263F9540, 8 bytes long.
 Data: <`&#234;M&    > 60 EA 4D 26 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020026403F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000200263EECC0, 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 0x00000200264050C0, 16 bytes long.
 Data: <hb@&            > 68 62 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020026405E30, 16 bytes long.
 Data: <@b@&            > 40 62 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000200263FE0E0, 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 0x0000020026404F80, 16 bytes long.
 Data: < b@&            > 18 62 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020026404FD0, 16 bytes long.
 Data: <&#240;a@&            > F0 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020026405250, 16 bytes long.
 Data: <&#200;a@&            > C8 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020026405DE0, 16 bytes long.
 Data: <&#160;a@&            > A0 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000200263FFB30, 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 0x0000020026405C00, 16 bytes long.
 Data: < N@&            > 18 4E 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000200263FDDE0, 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 0x00000200264057F0, 16 bytes long.
 Data: <&#240;M@&            > F0 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020026405750, 16 bytes long.
 Data: <&#200;M@&            > C8 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020026405700, 16 bytes long.
 Data: <&#160;M@&            > A0 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020026405660, 16 bytes long.
 Data: <xM@&            > 78 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020026405070, 16 bytes long.
 Data: <PM@&            > 50 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020026405D90, 16 bytes long.
 Data: <(M@&            > 28 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000200263FD8A0, 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 0x0000020026405C50, 16 bytes long.
 Data: < M@&            > 00 4D 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020026404D00, 320 bytes long.
 Data: <P\@&    &#160;&#216;?&    > 50 5C 40 26 00 02 00 00 A0 D8 3F 26 00 02 00 00 
{270} normal block at 0x0000020026405BB0, 16 bytes long.
 Data: < a@&            > 80 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200264057A0, 16 bytes long.
 Data: <Xa@&            > 58 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000200263FDCC0, 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 0x0000020026405610, 16 bytes long.
 Data: <0a@&            > 30 61 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000200263FDE40, 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 0x0000020026405E80, 16 bytes long.
 Data: <x`@&            > 78 60 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200264056B0, 16 bytes long.
 Data: <P`@&            > 50 60 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020026405CF0, 16 bytes long.
 Data: <(`@&            > 28 60 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020026405B60, 16 bytes long.
 Data: < `@&            > 00 60 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020026405B10, 16 bytes long.
 Data: <&#216;_@&            > D8 5F 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020026405CA0, 16 bytes long.
 Data: <&#176;_@&            > B0 5F 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200264052A0, 16 bytes long.
 Data: <&#192; @&            > C0 01 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000200264001C0, 40 bytes long.
 Data: <&#160;R@&    pw&#242;'    > A0 52 40 26 00 02 00 00 70 77 F2 27 00 02 00 00 
{256} normal block at 0x0000020026405890, 16 bytes long.
 Data: < _@&            > 90 5F 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020026405A20, 16 bytes long.
 Data: <h_@&            > 68 5F 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000200263FDD20, 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 0x0000020026405ED0, 16 bytes long.
 Data: <@_@&            > 40 5F 40 26 00 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020026405F40, 992 bytes long.
 Data: <&#208;^@&     &#221;?&    > D0 5E 40 26 00 02 00 00 20 DD 3F 26 00 02 00 00 
{88} normal block at 0x00000200263FE140, 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 0x00000200263F94F0, 16 bytes long.
 Data: <&#192;&#250;?&            > C0 FA 3F 26 00 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000200263FFAC0, 40 bytes long.
 Data: <&#240;&#148;?&    @&#225;?&    > F0 94 3F 26 00 02 00 00 40 E1 3F 26 00 02 00 00 
{65} normal block at 0x00000200263F8C80, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200263F9220, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200263F8E60, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200263F91D0, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000200263F9590, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000200263F9270, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000200263F94A0, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000200263F8CD0, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000200263F8E10, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000200263F95E0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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