Task 38687852

Name test_711-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2206_1
Workunit 31627900
Created 28 Oct 2026, 10:10:54 UTC
Sent 28 Oct 2026, 10:10:57 UTC
Report deadline 2 Nov 2026, 10:10:57 UTC
Received 28 Oct 2026, 10:46:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 35 min 8 sec
CPU time 33 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.42 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:12:09 (28212): wrapper (7.9.26016): starting
05:12:09 (28212): 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
05:12:10 (28212): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:12:10 (28212): 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\6\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\6\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
05:46:15 (28212): C:/Windows/system32/cmd.exe exited; CPU time 2021.234375
05:46:15 (28212): 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: 31315323 bytes.
Dumping objects ->
{3835227} normal block at 0x00000199DDE047A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000199DDE04AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000199DDE046C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x00000199DDE04A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000199DDE04B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x00000199DFC043F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x00000199DFC1E7E0, 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) : {3835138} normal block at 0x00000199DDDFECE0, 8 bytes long.
 Data: <  -&#222;    > 00 00 2D DE 99 01 00 00 
{3834536} normal block at 0x00000199DFC1E3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000199DDDFF0A0, 8 bytes long.
 Data: < &#176;&#226;&#221;    > 20 B0 E2 DD 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000199DDE00AD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000199DDDF5EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000199DDE05E80, 16 bytes long.
 Data: <8e&#224;&#221;            > 38 65 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000199DDE057A0, 16 bytes long.
 Data: < e&#224;&#221;            > 10 65 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000199DDDFFE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000199DDE05700, 16 bytes long.
 Data: <&#232;d&#224;&#221;            > E8 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000199DDE05430, 16 bytes long.
 Data: <&#192;d&#224;&#221;            > C0 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000199DDE05CA0, 16 bytes long.
 Data: < d&#224;&#221;            > 98 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000199DDE05F20, 16 bytes long.
 Data: <pd&#224;&#221;            > 70 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000199DDE04500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000199DDE05480, 16 bytes long.
 Data: <h&#142;&#223;&#221;            > 68 8E DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000199DDDFFEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000199DDE05F70, 16 bytes long.
 Data: <@&#142;&#223;&#221;            > 40 8E DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000199DDE052A0, 16 bytes long.
 Data: < &#142;&#223;&#221;            > 18 8E DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000199DDE05CF0, 16 bytes long.
 Data: <&#240; &#223;&#221;            > F0 8D DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000199DDE05C50, 16 bytes long.
 Data: <&#200; &#223;&#221;            > C8 8D DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000199DDE05C00, 16 bytes long.
 Data: <&#160; &#223;&#221;            > A0 8D DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000199DDE05610, 16 bytes long.
 Data: <x &#223;&#221;            > 78 8D DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000199DDE00020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000199DDE05520, 16 bytes long.
 Data: <P &#223;&#221;            > 50 8D DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000199DDDF8D50, 320 bytes long.
 Data: < U&#224;&#221;      &#224;&#221;    > 20 55 E0 DD 99 01 00 00 20 00 E0 DD 99 01 00 00 
{273} normal block at 0x00000199DDE061A0, 16 bytes long.
 Data: <Pd&#224;&#221;            > 50 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000199DDE06150, 16 bytes long.
 Data: <(d&#224;&#221;            > 28 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000199DDDFFD80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000199DDE058E0, 16 bytes long.
 Data: < d&#224;&#221;            > 00 64 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000199DDE00320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000199DDE059D0, 16 bytes long.
 Data: <Hc&#224;&#221;            > 48 63 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000199DDE05750, 16 bytes long.
 Data: < c&#224;&#221;            > 20 63 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000199DDE054D0, 16 bytes long.
 Data: <&#248;b&#224;&#221;            > F8 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000199DDE055C0, 16 bytes long.
 Data: <&#208;b&#224;&#221;            > D0 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000199DDE05BB0, 16 bytes long.
 Data: <&#168;b&#224;&#221;            > A8 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000199DDE05B60, 16 bytes long.
 Data: < b&#224;&#221;            > 80 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000199DDE05660, 16 bytes long.
 Data: <PF&#224;&#221;            > 50 46 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000199DDE04650, 40 bytes long.
 Data: <`V&#224;&#221;    &#240;C&#192;&#223;    > 60 56 E0 DD 99 01 00 00 F0 43 C0 DF 99 01 00 00 
{259} normal block at 0x00000199DDE052F0, 16 bytes long.
 Data: <`b&#224;&#221;            > 60 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000199DDE06100, 16 bytes long.
 Data: <8b&#224;&#221;            > 38 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000199DDDFF960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000199DDE05E30, 16 bytes long.
 Data: < b&#224;&#221;            > 10 62 E0 DD 99 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000199DDE06210, 992 bytes long.
 Data: <0^&#224;&#221;    `&#249;&#223;&#221;    > 30 5E E0 DD 99 01 00 00 60 F9 DF DD 99 01 00 00 
{91} normal block at 0x00000199DDDFF900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000199DDDFF050, 16 bytes long.
 Data: <P&#227;&#223;&#221;            > 50 E3 DF DD 99 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000199DDDFE350, 40 bytes long.
 Data: <P&#240;&#223;&#221;     &#249;&#223;&#221;    > 50 F0 DF DD 99 01 00 00 00 F9 DF DD 99 01 00 00 
{68} normal block at 0x00000199DDDFEFB0, 16 bytes long.
 Data: < &#234;&#137;&#191;&#247;           > 80 EA 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000199DDDFEEC0, 16 bytes long.
 Data: <@&#233;&#137;&#191;&#247;           > 40 E9 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000199DDDFE6F0, 16 bytes long.
 Data: <&#248;W&#134;&#191;&#247;           > F8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000199DDDFF280, 16 bytes long.
 Data: <&#216;W&#134;&#191;&#247;           > D8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000199DDDFE8D0, 16 bytes long.
 Data: <P &#134;&#191;&#247;           > 50 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000199DDDFE650, 16 bytes long.
 Data: <0 &#134;&#191;&#247;           > 30 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000199DDDFF000, 16 bytes long.
 Data: <&#224; &#134;&#191;&#247;           > E0 02 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000199DDDFEC40, 16 bytes long.
 Data: <  &#134;&#191;&#247;           > 10 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000199DDDFE920, 16 bytes long.
 Data: <p &#134;&#191;&#247;           > 70 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000199DDDFEE70, 16 bytes long.
 Data: < &#192;&#132;&#191;&#247;           > 18 C0 84 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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