Task 38685645

Name test_266-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3525_0
Workunit 31627106
Created 27 Oct 2026, 22:11:59 UTC
Sent 27 Oct 2026, 22:12:11 UTC
Report deadline 1 Nov 2026, 22:12:11 UTC
Received 27 Oct 2026, 23:11:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 58 min 14 sec
CPU time 55 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.09 MB
Peak swap size 11.28 GB
Peak disk usage 3.73 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:14:41 (9808): wrapper (7.9.26016): starting
23:14:41 (9808): 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
23:14:43 (9808): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:14:43 (9808): 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\28\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\28\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
00:10:45 (9808): C:/Windows/system32/cmd.exe exited; CPU time 3353.843750
00:10:45 (9808): 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: 46089989 bytes.
Dumping objects ->
{3835220} normal block at 0x000002091A3B5740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002091A3B6380, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000002091A3B6000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000002091A3B5820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000002091A3B60E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000002091BF7B480, 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) : {3835132} normal block at 0x000002091A387A20, 8 bytes long.
 Data: <  &#206; 	   > 00 00 CE 1B 09 02 00 00 
{3833949} normal block at 0x000002091A387F70, 8 bytes long.
 Data: <`p  	   > 60 70 06 1C 09 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002091A390ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002091A375C70, 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 0x000002091A3929B0, 16 bytes long.
 Data: < 59 	           > 08 35 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002091A3926E0, 16 bytes long.
 Data: <&#224;49 	           > E0 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002091A38E110, 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 0x000002091A3925A0, 16 bytes long.
 Data: <&#184;49 	           > B8 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002091A392460, 16 bytes long.
 Data: < 49 	           > 90 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002091A392410, 16 bytes long.
 Data: <h49 	           > 68 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002091A392960, 16 bytes long.
 Data: <@49 	           > 40 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002091A38C1C0, 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 0x000002091A392820, 16 bytes long.
 Data: < \7 	           > 08 5C 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002091A38D930, 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 0x000002091A3928C0, 16 bytes long.
 Data: <&#224;[7 	           > E0 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002091A392870, 16 bytes long.
 Data: <&#184;[7 	           > B8 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002091A392D70, 16 bytes long.
 Data: < [7 	           > 90 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002091A3923C0, 16 bytes long.
 Data: <h[7 	           > 68 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002091A392CD0, 16 bytes long.
 Data: <@[7 	           > 40 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002091A3924B0, 16 bytes long.
 Data: < [7 	           > 18 5B 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002091A38D6F0, 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 0x000002091A392690, 16 bytes long.
 Data: <&#240;Z7 	           > F0 5A 37 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002091A375AF0, 320 bytes long.
 Data: < &9 	   &#240;&#214;8 	   > 90 26 39 1A 09 02 00 00 F0 D6 38 1A 09 02 00 00 
{270} normal block at 0x000002091A392370, 16 bytes long.
 Data: < 49 	           > 20 34 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002091A392230, 16 bytes long.
 Data: <&#248;39 	           > F8 33 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002091A38DE10, 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 0x000002091A3921E0, 16 bytes long.
 Data: <&#208;39 	           > D0 33 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002091A38DC30, 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 0x000002091A3922D0, 16 bytes long.
 Data: < 39 	           > 18 33 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002091A3920F0, 16 bytes long.
 Data: <&#240;29 	           > F0 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002091A392910, 16 bytes long.
 Data: <&#200;29 	           > C8 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002091A392320, 16 bytes long.
 Data: <&#160;29 	           > A0 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002091A392640, 16 bytes long.
 Data: <x29 	           > 78 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002091A392AA0, 16 bytes long.
 Data: <P29 	           > 50 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002091A392050, 16 bytes long.
 Data: <&#224;&#192;8 	           > E0 C0 38 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002091A38C0E0, 40 bytes long.
 Data: <P 9 	    &#180;&#247; 	   > 50 20 39 1A 09 02 00 00 80 B4 F7 1B 09 02 00 00 
{256} normal block at 0x000002091A392500, 16 bytes long.
 Data: <029 	           > 30 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002091A392190, 16 bytes long.
 Data: < 29 	           > 08 32 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002091A38E0B0, 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 0x000002091A392550, 16 bytes long.
 Data: <&#224;19 	           > E0 31 39 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002091A3931E0, 992 bytes long.
 Data: <P%9 	   &#176;&#224;8 	   > 50 25 39 1A 09 02 00 00 B0 E0 38 1A 09 02 00 00 
{88} normal block at 0x000002091A38DED0, 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 0x000002091A387C50, 16 bytes long.
 Data: <&#208;&#196;8 	           > D0 C4 38 1A 09 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002091A38C4D0, 40 bytes long.
 Data: <P|8 	   &#208;&#222;8 	   > 50 7C 38 1A 09 02 00 00 D0 DE 38 1A 09 02 00 00 
{65} normal block at 0x000002091A387E80, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002091A387B60, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002091A387340, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002091A3879D0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002091A3878E0, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002091A387B10, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002091A387AC0, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002091A387DE0, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002091A3874D0, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002091A387ED0, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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