Task 38685919

Name test_361-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9965_0
Workunit 31627372
Created 27 Oct 2026, 23:41:15 UTC
Sent 27 Oct 2026, 23:41:19 UTC
Report deadline 1 Nov 2026, 23:41:19 UTC
Received 28 Oct 2026, 0:05:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646261
Run time 19 min 27 sec
CPU time 18 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 39,048.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.37 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:42:32 (27244): wrapper (7.9.26016): starting
00:42:32 (27244): 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
00:42:33 (27244): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:42:33 (27244): 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\1\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\1\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
01:01:25 (27244): C:/Windows/system32/cmd.exe exited; CPU time 1119.171875
01:01:25 (27244): 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: 22932693 bytes.
Dumping objects ->
{3835519} normal block at 0x000002737078DD00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000002737078E400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000002737078DDE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000002737078E5C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002737078E010, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000002736EA37190, 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) : {3835431} normal block at 0x000002736EA31C00, 8 bytes long.
 Data: <  &#240;ns   > 00 00 F0 6E 73 02 00 00 
{3833967} normal block at 0x000002736EA314D0, 8 bytes long.
 Data: <&#224;&#135; ps   > E0 87 90 70 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002736EA33CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002736EA21C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002736EA390B0, 16 bytes long.
 Data: <&#200;&#150;&#163;ns           > C8 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002736EA39060, 16 bytes long.
 Data: <&#160;&#150;&#163;ns           > A0 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002736EA2F820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002736EA38D40, 16 bytes long.
 Data: <x&#150;&#163;ns           > 78 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002736EA391F0, 16 bytes long.
 Data: <P&#150;&#163;ns           > 50 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002736EA38FC0, 16 bytes long.
 Data: <(&#150;&#163;ns           > 28 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002736EA38B10, 16 bytes long.
 Data: < &#150;&#163;ns           > 00 96 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002736EA35CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002736EA39100, 16 bytes long.
 Data: <&#200;#&#162;ns           > C8 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002736EA2F5E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002736EA38840, 16 bytes long.
 Data: <&#160;#&#162;ns           > A0 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002736EA38AC0, 16 bytes long.
 Data: <x#&#162;ns           > 78 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002736EA38520, 16 bytes long.
 Data: <P#&#162;ns           > 50 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002736EA38E80, 16 bytes long.
 Data: <(#&#162;ns           > 28 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002736EA39010, 16 bytes long.
 Data: < #&#162;ns           > 00 23 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002736EA38F70, 16 bytes long.
 Data: <&#216;"&#162;ns           > D8 22 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002736EA2F8E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002736EA38660, 16 bytes long.
 Data: <&#176;"&#162;ns           > B0 22 A2 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002736EA222B0, 320 bytes long.
 Data: <`&#134;&#163;ns   &#224;&#248;&#162;ns   > 60 86 A3 6E 73 02 00 00 E0 F8 A2 6E 73 02 00 00 
{279} normal block at 0x000002736EA38A20, 16 bytes long.
 Data: <&#224;&#149;&#163;ns           > E0 95 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002736EA38980, 16 bytes long.
 Data: <&#184;&#149;&#163;ns           > B8 95 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002736EA2F640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002736EA38A70, 16 bytes long.
 Data: < &#149;&#163;ns           > 90 95 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002736EA2FB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002736EA38D90, 16 bytes long.
 Data: <&#216;&#148;&#163;ns           > D8 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002736EA384D0, 16 bytes long.
 Data: <&#176;&#148;&#163;ns           > B0 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002736EA389D0, 16 bytes long.
 Data: < &#148;&#163;ns           > 88 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002736EA38F20, 16 bytes long.
 Data: <`&#148;&#163;ns           > 60 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002736EA38ED0, 16 bytes long.
 Data: <8&#148;&#163;ns           > 38 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002736EA38C50, 16 bytes long.
 Data: < &#148;&#163;ns           > 10 94 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002736EA38E30, 16 bytes long.
 Data: <&#176;]&#163;ns           > B0 5D A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002736EA35DB0, 40 bytes long.
 Data: <0&#142;&#163;ns    q&#163;ns   > 30 8E A3 6E 73 02 00 00 90 71 A3 6E 73 02 00 00 
{265} normal block at 0x000002736EA38C00, 16 bytes long.
 Data: <&#240;&#147;&#163;ns           > F0 93 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002736EA386B0, 16 bytes long.
 Data: <&#200;&#147;&#163;ns           > C8 93 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002736EA2FCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002736EA387A0, 16 bytes long.
 Data: <&#160;&#147;&#163;ns           > A0 93 A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002736EA393A0, 992 bytes long.
 Data: <&#160;&#135;&#163;ns   &#160;&#252;&#162;ns   > A0 87 A3 6E 73 02 00 00 A0 FC A2 6E 73 02 00 00 
{97} normal block at 0x000002736EA30180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002736EA31B60, 16 bytes long.
 Data: <&#224;_&#163;ns           > E0 5F A3 6E 73 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002736EA35FE0, 40 bytes long.
 Data: <` &#163;ns     &#163;ns   > 60 1B A3 6E 73 02 00 00 80 01 A3 6E 73 02 00 00 
{74} normal block at 0x000002736EA31980, 16 bytes long.
 Data: < &#234;&#230;&#228;&#246;           > 80 EA E6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002736EA31480, 16 bytes long.
 Data: <@&#233;&#230;&#228;&#246;           > 40 E9 E6 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002736EA317A0, 16 bytes long.
 Data: <&#248;W&#227;&#228;&#246;           > F8 57 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002736EA31930, 16 bytes long.
 Data: <&#216;W&#227;&#228;&#246;           > D8 57 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002736EA313E0, 16 bytes long.
 Data: <P &#227;&#228;&#246;           > 50 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002736EA311B0, 16 bytes long.
 Data: <0 &#227;&#228;&#246;           > 30 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002736EA31C50, 16 bytes long.
 Data: <&#224; &#227;&#228;&#246;           > E0 02 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002736EA31520, 16 bytes long.
 Data: <  &#227;&#228;&#246;           > 10 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002736EA31160, 16 bytes long.
 Data: <p &#227;&#228;&#246;           > 70 04 E3 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002736EA31A20, 16 bytes long.
 Data: < &#192;&#225;&#228;&#246;           > 18 C0 E1 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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