Task 38683145

Name test_447-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3370_0
Workunit 31624724
Created 27 Oct 2026, 10:37:05 UTC
Sent 27 Oct 2026, 10:37:12 UTC
Report deadline 1 Nov 2026, 10:37:12 UTC
Received 27 Oct 2026, 12:16:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 39 sec
CPU time 23 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.54 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:52:12 (29244): wrapper (7.9.26016): starting
13:52:12 (29244): 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
13:52:13 (29244): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:13 (29244): 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\27\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\27\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
14:15:58 (29244): C:/Windows/system32/cmd.exe exited; CPU time 1394.765625
14:15:58 (29244): 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: 27960297 bytes.
Dumping objects ->
{3835575} normal block at 0x00000254663A8EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000254663A8E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x00000254663A8910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x00000254663A87C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000025464687660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x00000254663AF270, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x00000254646DF590, 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) : {3835486} normal block at 0x000002546467CA40, 8 bytes long.
 Data: <  &#179;dT   > 00 00 B3 64 54 02 00 00 
{3834707} normal block at 0x00000254646DFA70, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000002546467D530, 8 bytes long.
 Data: <&#208;nhdT   > D0 6E 68 64 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000254646839E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000025464671FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000025464687DB0, 16 bytes long.
 Data: <&#184;&#142;hdT           > B8 8E 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000025464688A80, 16 bytes long.
 Data: < &#142;hdT           > 90 8E 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000025464680E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x00000254646880D0, 16 bytes long.
 Data: <h&#142;hdT           > 68 8E 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000254646889E0, 16 bytes long.
 Data: <@&#142;hdT           > 40 8E 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025464688990, 16 bytes long.
 Data: < &#142;hdT           > 18 8E 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025464688760, 16 bytes long.
 Data: <&#240; hdT           > F0 8D 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025464687430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000025464687C20, 16 bytes long.
 Data: < !hdT           > 18 21 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025464680C30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000025464688670, 16 bytes long.
 Data: <&#240; hdT           > F0 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025464687BD0, 16 bytes long.
 Data: <&#200; hdT           > C8 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025464687EF0, 16 bytes long.
 Data: <&#160; hdT           > A0 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000254646887B0, 16 bytes long.
 Data: <x hdT           > 78 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025464688710, 16 bytes long.
 Data: <P hdT           > 50 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025464688940, 16 bytes long.
 Data: <( hdT           > 28 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025464680B10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000025464687C70, 16 bytes long.
 Data: <  hdT           > 00 20 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025464682000, 320 bytes long.
 Data: <p|hdT     hdT   > 70 7C 68 64 54 02 00 00 10 0B 68 64 54 02 00 00 
{283} normal block at 0x0000025464688AD0, 16 bytes long.
 Data: <&#208; hdT           > D0 8D 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025464688A30, 16 bytes long.
 Data: <&#168; hdT           > A8 8D 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000254646811D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000025464687EA0, 16 bytes long.
 Data: <  hdT           > 80 8D 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025464680FF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000025464688620, 16 bytes long.
 Data: <&#200;&#140;hdT           > C8 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000254646888F0, 16 bytes long.
 Data: <&#160;&#140;hdT           > A0 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000254646885D0, 16 bytes long.
 Data: <x&#140;hdT           > 78 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025464688300, 16 bytes long.
 Data: <P&#140;hdT           > 50 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025464688350, 16 bytes long.
 Data: <(&#140;hdT           > 28 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025464688580, 16 bytes long.
 Data: < &#140;hdT           > 00 8C 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025464687D10, 16 bytes long.
 Data: <&#160;thdT           > A0 74 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000254646874A0, 40 bytes long.
 Data: < }hdT   p&#242;:fT   > 10 7D 68 64 54 02 00 00 70 F2 3A 66 54 02 00 00 
{269} normal block at 0x0000025464688850, 16 bytes long.
 Data: <&#224;&#139;hdT           > E0 8B 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025464688170, 16 bytes long.
 Data: <&#184;&#139;hdT           > B8 8B 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025464681470, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000025464688080, 16 bytes long.
 Data: < &#139;hdT           > 90 8B 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025464688B90, 992 bytes long.
 Data: <  hdT   p hdT   > 80 80 68 64 54 02 00 00 70 14 68 64 54 02 00 00 
{101} normal block at 0x0000025464680A50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000002546467CD60, 16 bytes long.
 Data: <&#192;zhdT           > C0 7A 68 64 54 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000025464687AC0, 40 bytes long.
 Data: <`&#205;gdT   P hdT   > 60 CD 67 64 54 02 00 00 50 0A 68 64 54 02 00 00 
{78} normal block at 0x000002546467C9A0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002546467C950, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002546467C7C0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002546467CA90, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002546467C900, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002546467C720, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002546467D5D0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002546467C8B0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002546467D620, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002546467D350, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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