Task 38666035

Name test_154-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND5883_0
Workunit 31609068
Created 25 Oct 2026, 1:58:58 UTC
Sent 25 Oct 2026, 2:07:54 UTC
Report deadline 30 Oct 2026, 2:07:54 UTC
Received 25 Oct 2026, 3:09:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 57 min 54 sec
CPU time 57 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.25 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
03:14:28 (3204): wrapper (7.9.26016): starting
03:14:28 (3204): 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
03:14:30 (3204): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:14:30 (3204): 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\170\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\170\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
04:08:36 (3204): C:/Windows/system32/cmd.exe exited; CPU time 3474.109375
04:08:36 (3204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 88913475 bytes.
Dumping objects ->
{3835226} normal block at 0x0000019E4787A0F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000019E4787A1D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000019E4787AB70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000019E4787A080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000019E4787A5C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000019E49707490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000019E478B07A0, 140 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) : {3835137} normal block at 0x0000019E47854FA0, 8 bytes long.
 Data: <   G&#158;   > 00 00 7F 47 9E 01 00 00 
{3834534} normal block at 0x0000019E478B0120, 140 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 0x0000019E47854D70, 8 bytes long.
 Data: < iyI&#158;   > 90 69 79 49 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000019E4783E540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019E47839880, 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 0x0000019E478544B0, 16 bytes long.
 Data: <h}&#133;G&#158;           > 68 7D 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019E478545F0, 16 bytes long.
 Data: <@}&#133;G&#158;           > 40 7D 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019E4784A450, 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 0x0000019E47854960, 16 bytes long.
 Data: < }&#133;G&#158;           > 18 7D 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019E478549B0, 16 bytes long.
 Data: <&#240;|&#133;G&#158;           > F0 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019E47854410, 16 bytes long.
 Data: <&#200;|&#133;G&#158;           > C8 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019E478543C0, 16 bytes long.
 Data: <&#160;|&#133;G&#158;           > A0 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019E47852460, 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 0x0000019E47854A50, 16 bytes long.
 Data: <HH&#131;G&#158;           > 48 48 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019E47849E50, 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 0x0000019E47854370, 16 bytes long.
 Data: < H&#131;G&#158;           > 20 48 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019E47854870, 16 bytes long.
 Data: <&#248;G&#131;G&#158;           > F8 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019E47854B40, 16 bytes long.
 Data: <&#208;G&#131;G&#158;           > D0 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019E47854730, 16 bytes long.
 Data: <&#168;G&#131;G&#158;           > A8 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019E47854E10, 16 bytes long.
 Data: < G&#131;G&#158;           > 80 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019E478546E0, 16 bytes long.
 Data: <XG&#131;G&#158;           > 58 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019E4784A3F0, 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 0x0000019E47854910, 16 bytes long.
 Data: <0G&#131;G&#158;           > 30 47 83 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019E47834730, 320 bytes long.
 Data: < I&#133;G&#158;   &#240;&#163;&#132;G&#158;   > 10 49 85 47 9E 01 00 00 F0 A3 84 47 9E 01 00 00 
{270} normal block at 0x0000019E47854E60, 16 bytes long.
 Data: < |&#133;G&#158;           > 80 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019E47854AF0, 16 bytes long.
 Data: <X|&#133;G&#158;           > 58 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019E4784AB10, 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 0x0000019E47854D20, 16 bytes long.
 Data: <0|&#133;G&#158;           > 30 7C 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019E47849DF0, 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 0x0000019E47854320, 16 bytes long.
 Data: <x{&#133;G&#158;           > 78 7B 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019E47854280, 16 bytes long.
 Data: <P{&#133;G&#158;           > 50 7B 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019E478545A0, 16 bytes long.
 Data: <({&#133;G&#158;           > 28 7B 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019E47854230, 16 bytes long.
 Data: < {&#133;G&#158;           > 00 7B 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019E478541E0, 16 bytes long.
 Data: <&#216;z&#133;G&#158;           > D8 7A 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019E47854140, 16 bytes long.
 Data: <&#176;z&#133;G&#158;           > B0 7A 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019E47854CD0, 16 bytes long.
 Data: <p'&#133;G&#158;           > 70 27 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019E47852770, 40 bytes long.
 Data: <&#208;L&#133;G&#158;    tpI&#158;   > D0 4C 85 47 9E 01 00 00 90 74 70 49 9E 01 00 00 
{256} normal block at 0x0000019E47854190, 16 bytes long.
 Data: < z&#133;G&#158;           > 90 7A 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019E47854C80, 16 bytes long.
 Data: <hz&#133;G&#158;           > 68 7A 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019E4784A210, 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 0x0000019E478540F0, 16 bytes long.
 Data: <@z&#133;G&#158;           > 40 7A 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000019E47857A40, 992 bytes long.
 Data: <&#240;@&#133;G&#158;    &#162;&#132;G&#158;   > F0 40 85 47 9E 01 00 00 10 A2 84 47 9E 01 00 00 
{88} normal block at 0x0000019E4784A0F0, 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 0x0000019E47854AA0, 16 bytes long.
 Data: <&#176;%&#133;G&#158;           > B0 25 85 47 9E 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000019E478525B0, 40 bytes long.
 Data: <&#160;J&#133;G&#158;   &#240;&#160;&#132;G&#158;   > A0 4A 85 47 9E 01 00 00 F0 A0 84 47 9E 01 00 00 
{65} normal block at 0x0000019E47849250, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019E47849200, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019E47849110, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019E47849B60, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019E47849B10, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019E47849AC0, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019E478490C0, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019E47849070, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019E47849020, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019E47849A70, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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