Task 38675041

Name test_584-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7613_0
Workunit 31617039
Created 26 Oct 2026, 7:04:52 UTC
Sent 26 Oct 2026, 7:04:59 UTC
Report deadline 31 Oct 2026, 7:04:59 UTC
Received 26 Oct 2026, 8:17:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 53 min 8 sec
CPU time 50 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.10 MB
Peak swap size 13.42 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:20:52 (8292): wrapper (7.9.26016): starting
14:20:52 (8292): 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
14:20:53 (8292): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:20:53 (8292): 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\33\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\33\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
15:12:42 (8292): C:/Windows/system32/cmd.exe exited; CPU time 3035.671875
15:12:42 (8292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 49596869 bytes.
Dumping objects ->
{3835242} normal block at 0x0000020D8416D740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000020D8416DC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000020D8416D820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x0000020D8416D660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000020D823E4B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x0000020D841B6100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835154} normal block at 0x0000020D823DB400, 8 bytes long.
 Data: <   &#130;    > 00 00 7F 82 0D 02 00 00 
{3833985} normal block at 0x0000020D823DB090, 8 bytes long.
 Data: <&#224;&#233;K&#130;    > E0 E9 4B 82 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000020D823E2240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000020D823D0340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000020D823E6AC0, 16 bytes long.
 Data: <&#232;y>&#130;            > E8 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000020D823E6D40, 16 bytes long.
 Data: <&#192;y>&#130;            > C0 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020D823DEF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000020D823E7420, 16 bytes long.
 Data: < y>&#130;            > 98 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020D823E7510, 16 bytes long.
 Data: <py>&#130;            > 70 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020D823E6A70, 16 bytes long.
 Data: <Hy>&#130;            > 48 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020D823E6C50, 16 bytes long.
 Data: < y>&#130;            > 20 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020D823E48F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000020D823E6FC0, 16 bytes long.
 Data: <&#200; =&#130;            > C8 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020D823DF040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000020D823E72E0, 16 bytes long.
 Data: <&#160; =&#130;            > A0 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020D823E7290, 16 bytes long.
 Data: <x =&#130;            > 78 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D823E69D0, 16 bytes long.
 Data: <P =&#130;            > 50 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D823E73D0, 16 bytes long.
 Data: <( =&#130;            > 28 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D823E6F20, 16 bytes long.
 Data: <  =&#130;            > 00 0D 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D823E74C0, 16 bytes long.
 Data: <&#216; =&#130;            > D8 0C 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D823DF340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000020D823E6ED0, 16 bytes long.
 Data: <&#176; =&#130;            > B0 0C 3D 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D823D0CB0, 320 bytes long.
 Data: <&#208;n>&#130;    @&#243;=&#130;    > D0 6E 3E 82 0D 02 00 00 40 F3 3D 82 0D 02 00 00 
{288} normal block at 0x0000020D823E68E0, 16 bytes long.
 Data: < y>&#130;            > 00 79 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D823E6CF0, 16 bytes long.
 Data: <&#216;x>&#130;            > D8 78 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D823DFCA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000020D823E67F0, 16 bytes long.
 Data: <&#176;x>&#130;            > B0 78 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D823DF760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000020D823E6B60, 16 bytes long.
 Data: <&#248;w>&#130;            > F8 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D823E6C00, 16 bytes long.
 Data: <&#208;w>&#130;            > D0 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D823E6A20, 16 bytes long.
 Data: <&#168;w>&#130;            > A8 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D823E6890, 16 bytes long.
 Data: < w>&#130;            > 80 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D823E67A0, 16 bytes long.
 Data: <Xw>&#130;            > 58 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D823E6840, 16 bytes long.
 Data: <0w>&#130;            > 30 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D823E7100, 16 bytes long.
 Data: < O>&#130;            > 10 4F 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D823E4F10, 40 bytes long.
 Data: < q>&#130;     a &#132;    > 00 71 3E 82 0D 02 00 00 00 61 1B 84 0D 02 00 00 
{274} normal block at 0x0000020D823E6930, 16 bytes long.
 Data: < w>&#130;            > 10 77 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D823E7650, 16 bytes long.
 Data: <&#232;v>&#130;            > E8 76 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D823DFB80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000020D823E6700, 16 bytes long.
 Data: <&#192;v>&#130;            > C0 76 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D823E76C0, 992 bytes long.
 Data: < g>&#130;     &#251;=&#130;    > 00 67 3E 82 0D 02 00 00 80 FB 3D 82 0D 02 00 00 
{106} normal block at 0x0000020D823DF9A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000020D823DB1D0, 16 bytes long.
 Data: < L>&#130;            > 00 4C 3E 82 0D 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000020D823E4C00, 40 bytes long.
 Data: <&#208;&#177;=&#130;    &#160;&#249;=&#130;    > D0 B1 3D 82 0D 02 00 00 A0 F9 3D 82 0D 02 00 00 
{83} normal block at 0x0000020D823DB0E0, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020D823DB8B0, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020D823DB860, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000020D823DB810, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020D823DBDB0, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020D823DBA90, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020D823DB540, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020D823DBAE0, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000020D823DB450, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020D823DB4F0, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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