Task 38686405

Name test_329-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1765_0
Workunit 31627838
Created 28 Oct 2026, 2:18:50 UTC
Sent 28 Oct 2026, 2:18:51 UTC
Report deadline 2 Nov 2026, 2:18:51 UTC
Received 28 Oct 2026, 3:29:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 34 min 45 sec
CPU time 31 min 30 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 691.36 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:54:55 (8388): wrapper (7.9.26016): starting
04:54:55 (8388): 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
04:54:57 (8388): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:54:57 (8388): 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\24\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\24\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
05:28:55 (8388): C:/Windows/system32/cmd.exe exited; CPU time 1890.421875
05:28:55 (8388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 25356135 bytes.
Dumping objects ->
{3835255} normal block at 0x000001D7DA6247E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001D7DA624D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001D7DA624070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001D7DA624850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001D7DA6245B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001D7DC100C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001D7DC159190, 180 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) : {3835166} normal block at 0x000001D7DA5F5D70, 8 bytes long.
 Data: <  &#247;&#219;&#215;   > 00 00 F7 DB D7 01 00 00 
{3834558} normal block at 0x000001D7DC1590A0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001D7DA5F63B0, 8 bytes long.
 Data: <@&#225; &#220;&#215;   > 40 E1 20 DC D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D7DA5FF7B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D7DA5E5870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001D7DA601100, 16 bytes long.
 Data: <&#200; `&#218;&#215;           > C8 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D7DA6010B0, 16 bytes long.
 Data: <&#160; `&#218;&#215;           > A0 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D7DA5FA9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001D7DA600ED0, 16 bytes long.
 Data: <x `&#218;&#215;           > 78 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D7DA600D90, 16 bytes long.
 Data: <P `&#218;&#215;           > 50 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D7DA600D40, 16 bytes long.
 Data: <( `&#218;&#215;           > 28 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7DA6011A0, 16 bytes long.
 Data: <  `&#218;&#215;           > 00 1D 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D7DA5F8AA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001D7DA601290, 16 bytes long.
 Data: <x _&#218;&#215;           > 78 99 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D7DA5FA6B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001D7DA600CA0, 16 bytes long.
 Data: <P _&#218;&#215;           > 50 99 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D7DA600E80, 16 bytes long.
 Data: <( _&#218;&#215;           > 28 99 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D7DA600C00, 16 bytes long.
 Data: <  _&#218;&#215;           > 00 99 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7DA600B60, 16 bytes long.
 Data: <&#216; _&#218;&#215;           > D8 98 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D7DA600B10, 16 bytes long.
 Data: <&#176; _&#218;&#215;           > B0 98 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D7DA600BB0, 16 bytes long.
 Data: <  _&#218;&#215;           > 88 98 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D7DA5FA3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001D7DA600A70, 16 bytes long.
 Data: <` _&#218;&#215;           > 60 98 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D7DA5F9860, 320 bytes long.
 Data: <p `&#218;&#215;   &#176;&#163;_&#218;&#215;   > 70 0A 60 DA D7 01 00 00 B0 A3 5F DA D7 01 00 00 
{273} normal block at 0x000001D7DA600E30, 16 bytes long.
 Data: <&#224; `&#218;&#215;           > E0 1C 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7DA601880, 16 bytes long.
 Data: <&#184; `&#218;&#215;           > B8 1C 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D7DA5FA7D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001D7DA600AC0, 16 bytes long.
 Data: <&#144; `&#218;&#215;           > 90 1C 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D7DA5FADD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001D7DA600DE0, 16 bytes long.
 Data: <&#216; `&#218;&#215;           > D8 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7DA6017E0, 16 bytes long.
 Data: <&#176; `&#218;&#215;           > B0 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7DA601060, 16 bytes long.
 Data: <  `&#218;&#215;           > 88 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D7DA601380, 16 bytes long.
 Data: <` `&#218;&#215;           > 60 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7DA601740, 16 bytes long.
 Data: <8 `&#218;&#215;           > 38 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D7DA601010, 16 bytes long.
 Data: <  `&#218;&#215;           > 10 1B 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D7DA6016F0, 16 bytes long.
 Data: <`&#133;_&#218;&#215;           > 60 85 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D7DA5F8560, 40 bytes long.
 Data: <&#240; `&#218;&#215;   &#144;  &#220;&#215;   > F0 16 60 DA D7 01 00 00 90 0C 10 DC D7 01 00 00 
{259} normal block at 0x000001D7DA600FC0, 16 bytes long.
 Data: <&#240; `&#218;&#215;           > F0 1A 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D7DA600F70, 16 bytes long.
 Data: <&#200; `&#218;&#215;           > C8 1A 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D7DA5FAD70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001D7DA6009D0, 16 bytes long.
 Data: <&#160; `&#218;&#215;           > A0 1A 60 DA D7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D7DA601AA0, 992 bytes long.
 Data: <&#208;	`&#218;&#215;   p&#173;_&#218;&#215;   > D0 09 60 DA D7 01 00 00 70 AD 5F DA D7 01 00 00 
{91} normal block at 0x000001D7DA5FA770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001D7DA5F5DC0, 16 bytes long.
 Data: <p _&#218;&#215;           > 70 88 5F DA D7 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D7DA5F8870, 40 bytes long.
 Data: <&#192;]_&#218;&#215;   p&#167;_&#218;&#215;   > C0 5D 5F DA D7 01 00 00 70 A7 5F DA D7 01 00 00 
{68} normal block at 0x000001D7DA5F6220, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7DA5F6400, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D7DA5F5960, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D7DA5F64F0, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D7DA5F6680, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D7DA5F5AA0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D7DA5F61D0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D7DA5F5A50, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D7DA5F5C80, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D7DA5F5A00, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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