Task 38682406

Name test_607-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6274_0
Workunit 31624021
Created 27 Oct 2026, 7:41:31 UTC
Sent 27 Oct 2026, 7:41:35 UTC
Report deadline 1 Nov 2026, 7:41:35 UTC
Received 27 Oct 2026, 13:03:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 21 sec
CPU time 1 hours 42 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 644.14 MB
Peak swap size 6.72 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:18:36 (15324): wrapper (7.9.26016): starting
07:18:36 (15324): 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
07:18:38 (15324): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:18:38 (15324): 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\0\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\0\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
09:03:09 (15324): C:/Windows/system32/cmd.exe exited; CPU time 6120.421875
09:03:09 (15324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 77751775 bytes.
Dumping objects ->
{3835209} normal block at 0x00000240FEB77690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000240FEB774D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000240FEB77620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x00000240FEB77BD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000240FEB77A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x00000240FF436540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x00000240FF44CC20, 102 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) : {3835120} normal block at 0x00000240FEB46F90, 8 bytes long.
 Data: <  &#178;&#254;@   > 00 00 B2 FE 40 02 00 00 
{3834523} normal block at 0x00000240FF44CEE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000240FEB47260, 8 bytes long.
 Data: <&#208;4L&#255;@   > D0 34 4C FF 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000240FEB528F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240FEB3B610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000240FEB54100, 16 bytes long.
 Data: <&#200;M&#181;&#254;@           > C8 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240FEB545B0, 16 bytes long.
 Data: <&#160;M&#181;&#254;@           > A0 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240FEB4D280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000240FEB540B0, 16 bytes long.
 Data: <xM&#181;&#254;@           > 78 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240FEB54560, 16 bytes long.
 Data: <PM&#181;&#254;@           > 50 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000240FEB54510, 16 bytes long.
 Data: <(M&#181;&#254;@           > 28 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240FEB53B10, 16 bytes long.
 Data: < M&#181;&#254;@           > 00 4D B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000240FEB4BE40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000240FEB54060, 16 bytes long.
 Data: <&#200;7&#181;&#254;@           > C8 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240FEB4D5E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000240FEB53ED0, 16 bytes long.
 Data: <&#160;7&#181;&#254;@           > A0 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240FEB53F70, 16 bytes long.
 Data: <x7&#181;&#254;@           > 78 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240FEB53AC0, 16 bytes long.
 Data: <P7&#181;&#254;@           > 50 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240FEB53FC0, 16 bytes long.
 Data: <(7&#181;&#254;@           > 28 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000240FEB53E80, 16 bytes long.
 Data: < 7&#181;&#254;@           > 00 37 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240FEB541F0, 16 bytes long.
 Data: <&#216;6&#181;&#254;@           > D8 36 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000240FEB4DDC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000240FEB54010, 16 bytes long.
 Data: <&#176;6&#181;&#254;@           > B0 36 B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240FEB536B0, 320 bytes long.
 Data: < @&#181;&#254;@   &#192;&#221;&#180;&#254;@   > 10 40 B5 FE 40 02 00 00 C0 DD B4 FE 40 02 00 00 
{268} normal block at 0x00000240FEB53DE0, 16 bytes long.
 Data: <&#224;L&#181;&#254;@           > E0 4C B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240FEB53BB0, 16 bytes long.
 Data: <&#184;L&#181;&#254;@           > B8 4C B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000240FEB4D3A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000240FEB54380, 16 bytes long.
 Data: < L&#181;&#254;@           > 90 4C B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240FEB4DD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000240FEB546F0, 16 bytes long.
 Data: <&#216;K&#181;&#254;@           > D8 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000240FEB53D40, 16 bytes long.
 Data: <&#176;K&#181;&#254;@           > B0 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000240FEB54290, 16 bytes long.
 Data: < K&#181;&#254;@           > 88 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000240FEB53980, 16 bytes long.
 Data: <`K&#181;&#254;@           > 60 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000240FEB53CF0, 16 bytes long.
 Data: <8K&#181;&#254;@           > 38 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000240FEB541A0, 16 bytes long.
 Data: < K&#181;&#254;@           > 10 4B B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000240FEB53B60, 16 bytes long.
 Data: < &#195;&#180;&#254;@           > 10 C3 B4 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000240FEB4C310, 40 bytes long.
 Data: <`;&#181;&#254;@   @eC&#255;@   > 60 3B B5 FE 40 02 00 00 40 65 43 FF 40 02 00 00 
{254} normal block at 0x00000240FEB547E0, 16 bytes long.
 Data: <&#240;J&#181;&#254;@           > F0 4A B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000240FEB54330, 16 bytes long.
 Data: <&#200;J&#181;&#254;@           > C8 4A B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000240FEB4D9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000240FEB53A70, 16 bytes long.
 Data: <&#160;J&#181;&#254;@           > A0 4A B5 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000240FEB54AA0, 992 bytes long.
 Data: <p:&#181;&#254;@   &#160;&#217;&#180;&#254;@   > 70 3A B5 FE 40 02 00 00 A0 D9 B4 FE 40 02 00 00 
{86} normal block at 0x00000240FEB4DB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000240FEB476C0, 16 bytes long.
 Data: <&#160;&#194;&#180;&#254;@           > A0 C2 B4 FE 40 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000240FEB4C2A0, 40 bytes long.
 Data: <&#192;v&#180;&#254;@    &#219;&#180;&#254;@   > C0 76 B4 FE 40 02 00 00 80 DB B4 FE 40 02 00 00 
{63} normal block at 0x00000240FEB46EF0, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000240FEB47670, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000240FEB47CB0, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000240FEB47170, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000240FEB47580, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000240FEB47D00, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000240FEB47E40, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000240FEB47A80, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000240FEB47030, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000240FEB47760, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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