Task 38669911

Name test_549-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1492_0
Workunit 31612204
Created 25 Oct 2026, 15:55:16 UTC
Sent 25 Oct 2026, 15:55:18 UTC
Report deadline 30 Oct 2026, 15:55:18 UTC
Received 25 Oct 2026, 17:32:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 35 min 2 sec
CPU time 1 hours 31 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,200.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.69 MB
Peak swap size 5.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:56:20 (21280): wrapper (7.9.26016): starting
16:56:20 (21280): 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
16:56:21 (21280): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:56:21 (21280): 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
18:31:50 (21280): C:/Windows/system32/cmd.exe exited; CPU time 5469.890625
18:31:50 (21280): 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: 90671469 bytes.
Dumping objects ->
{3835513} normal block at 0x00000240F8474C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000240F8474BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000240F8475090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835480} normal block at 0x00000240F8474AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000240F8474B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835438} normal block at 0x00000240FA256040, 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) : {3835425} normal block at 0x00000240F846E810, 8 bytes long.
 Data: <   &#248;@   > 00 00 9D F8 40 02 00 00 
{3833967} normal block at 0x00000240F846E770, 8 bytes long.
 Data: <&#208;F+&#250;@   > D0 46 2B FA 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000240F8470EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000240F845F410, 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 0x00000240F84760B0, 16 bytes long.
 Data: <&#216;eG&#248;@           > D8 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000240F8475D90, 16 bytes long.
 Data: <&#176;eG&#248;@           > B0 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000240F846FEB0, 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 0x00000240F8475ED0, 16 bytes long.
 Data: < eG&#248;@           > 88 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000240F8475CF0, 16 bytes long.
 Data: <`eG&#248;@           > 60 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000240F8475CA0, 16 bytes long.
 Data: <8eG&#248;@           > 38 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000240F8475C50, 16 bytes long.
 Data: < eG&#248;@           > 10 65 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000240F8475100, 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 0x00000240F8475E80, 16 bytes long.
 Data: <&#216; F&#248;@           > D8 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000240F846FF70, 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 0x00000240F8475C00, 16 bytes long.
 Data: <&#176; F&#248;@           > B0 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240F8475660, 16 bytes long.
 Data: <  F&#248;@           > 88 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240F8475BB0, 16 bytes long.
 Data: <` F&#248;@           > 60 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000240F8475A70, 16 bytes long.
 Data: <8 F&#248;@           > 38 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240F84759D0, 16 bytes long.
 Data: <  F&#248;@           > 10 8D 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240F8475930, 16 bytes long.
 Data: <&#232;&#140;F&#248;@           > E8 8C 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240F846F850, 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 0x00000240F84756B0, 16 bytes long.
 Data: <&#192;&#140;F&#248;@           > C0 8C 46 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000240F8468CC0, 320 bytes long.
 Data: <&#176;VG&#248;@   P&#248;F&#248;@   > B0 56 47 F8 40 02 00 00 50 F8 46 F8 40 02 00 00 
{279} normal block at 0x00000240F8475840, 16 bytes long.
 Data: <&#240;dG&#248;@           > F0 64 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240F8475570, 16 bytes long.
 Data: <&#200;dG&#248;@           > C8 64 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240F846FDF0, 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 0x00000240F8475FC0, 16 bytes long.
 Data: <&#160;dG&#248;@           > A0 64 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240F846FCD0, 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 0x00000240F8475520, 16 bytes long.
 Data: <&#232;cG&#248;@           > E8 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000240F84757A0, 16 bytes long.
 Data: <&#192;cG&#248;@           > C0 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240F84757F0, 16 bytes long.
 Data: < cG&#248;@           > 98 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000240F84753E0, 16 bytes long.
 Data: <pcG&#248;@           > 70 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000240F8475B10, 16 bytes long.
 Data: <HcG&#248;@           > 48 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240F8475D40, 16 bytes long.
 Data: < cG&#248;@           > 20 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240F8475AC0, 16 bytes long.
 Data: < PG&#248;@           > 20 50 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000240F8475020, 40 bytes long.
 Data: <&#192;ZG&#248;@   @`%&#250;@   > C0 5A 47 F8 40 02 00 00 40 60 25 FA 40 02 00 00 
{265} normal block at 0x00000240F8475A20, 16 bytes long.
 Data: < cG&#248;@           > 00 63 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240F8475390, 16 bytes long.
 Data: <&#216;bG&#248;@           > D8 62 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240F84700F0, 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 0x00000240F8475750, 16 bytes long.
 Data: <&#176;bG&#248;@           > B0 62 47 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000240F84762B0, 992 bytes long.
 Data: <PWG&#248;@   &#240; G&#248;@   > 50 57 47 F8 40 02 00 00 F0 00 47 F8 40 02 00 00 
{97} normal block at 0x00000240F8470510, 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 0x00000240F846EAE0, 16 bytes long.
 Data: <&#240;&#254;E&#248;@           > F0 FE 45 F8 40 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000240F845FEF0, 40 bytes long.
 Data: <&#224;&#234;F&#248;@     G&#248;@   > E0 EA 46 F8 40 02 00 00 10 05 47 F8 40 02 00 00 
{74} normal block at 0x00000240F846F210, 16 bytes long.
 Data: < &#234;*&#138;&#246;           > 80 EA 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000240F846EC20, 16 bytes long.
 Data: <@&#233;*&#138;&#246;           > 40 E9 2A 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000240F846F490, 16 bytes long.
 Data: <&#248;W'&#138;&#246;           > F8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000240F846E7C0, 16 bytes long.
 Data: <&#216;W'&#138;&#246;           > D8 57 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000240F846F580, 16 bytes long.
 Data: <P '&#138;&#246;           > 50 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000240F846F120, 16 bytes long.
 Data: <0 '&#138;&#246;           > 30 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000240F846EC70, 16 bytes long.
 Data: <&#224; '&#138;&#246;           > E0 02 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000240F846F170, 16 bytes long.
 Data: <  '&#138;&#246;           > 10 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000240F846F0D0, 16 bytes long.
 Data: <p '&#138;&#246;           > 70 04 27 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000240F846EDB0, 16 bytes long.
 Data: < &#192;%&#138;&#246;           > 18 C0 25 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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