Task 38646950

Name test_285-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3660_1
Workunit 31591122
Created 23 Oct 2026, 17:28:30 UTC
Sent 23 Oct 2026, 18:17:35 UTC
Report deadline 28 Oct 2026, 18:17:35 UTC
Received 23 Oct 2026, 19:08:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 50 min 17 sec
CPU time 48 min 39 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 16,492.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.01 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:18:59 (25964): wrapper (7.9.26016): starting
20:18:59 (25964): 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
20:19:01 (25964): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:19:01 (25964): 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\7\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\7\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
21:07:55 (25964): C:/Windows/system32/cmd.exe exited; CPU time 2919.015625
21:07:55 (25964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 49268273 bytes.
Dumping objects ->
{3835638} normal block at 0x00000207631EFBC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x00000207631F0480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x00000207631F05D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x00000207631F0330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x00000207615679A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x00000207632376D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000002076155C440, 200 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) : {3835549} normal block at 0x000002076155DA70, 8 bytes long.
 Data: <  &#176;a    > 00 00 B0 61 07 02 00 00 
{3834745} normal block at 0x000002076155C110, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002076155DCF0, 8 bytes long.
 Data: <0&#220;Ta    > 30 DC 54 61 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000020761561600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000207615567C0, 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 0x00000207615687D0, 16 bytes long.
 Data: < &#145;Va            > 08 91 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020761568320, 16 bytes long.
 Data: <&#224; Va            > E0 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002076155F7F0, 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 0x0000020761568AA0, 16 bytes long.
 Data: <&#184; Va            > B8 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020761568AF0, 16 bytes long.
 Data: <  Va            > 90 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020761568280, 16 bytes long.
 Data: <h Va            > 68 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000207615689B0, 16 bytes long.
 Data: <@ Va            > 40 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207615675B0, 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 0x0000020761568820, 16 bytes long.
 Data: <H&#150;Ua            > 48 96 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002076155F790, 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 0x0000020761568230, 16 bytes long.
 Data: < &#150;Ua            > 20 96 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207615683C0, 16 bytes long.
 Data: <&#248;&#149;Ua            > F8 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000207615681E0, 16 bytes long.
 Data: <&#208;&#149;Ua            > D0 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020761568870, 16 bytes long.
 Data: <&#168;&#149;Ua            > A8 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020761567F60, 16 bytes long.
 Data: < &#149;Ua            > 80 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020761568190, 16 bytes long.
 Data: <X&#149;Ua            > 58 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207615600F0, 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 0x0000020761568140, 16 bytes long.
 Data: <0&#149;Ua            > 30 95 55 61 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020761559530, 320 bytes long.
 Data: <@ Va    &#240; Va    > 40 81 56 61 07 02 00 00 F0 00 56 61 07 02 00 00 
{279} normal block at 0x0000020761567E20, 16 bytes long.
 Data: <  Va            > 20 90 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020761568500, 16 bytes long.
 Data: <&#248;&#143;Va            > F8 8F 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207615601B0, 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 0x0000020761568780, 16 bytes long.
 Data: <&#208;&#143;Va            > D0 8F 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002076155F9D0, 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 0x0000020761567F10, 16 bytes long.
 Data: < &#143;Va            > 18 8F 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020761567EC0, 16 bytes long.
 Data: <&#240;&#142;Va            > F0 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020761568960, 16 bytes long.
 Data: <&#200;&#142;Va            > C8 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207615688C0, 16 bytes long.
 Data: <&#160;&#142;Va            > A0 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020761568690, 16 bytes long.
 Data: <x&#142;Va            > 78 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000207615680F0, 16 bytes long.
 Data: <P&#142;Va            > 50 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020761568D70, 16 bytes long.
 Data: < zVa            > 10 7A 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020761567A10, 40 bytes long.
 Data: <p&#141;Va    &#208;v#c    > 70 8D 56 61 07 02 00 00 D0 76 23 63 07 02 00 00 
{265} normal block at 0x0000020761568A50, 16 bytes long.
 Data: <0&#142;Va            > 30 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020761568BE0, 16 bytes long.
 Data: < &#142;Va            > 08 8E 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002076155F910, 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 0x00000207615680A0, 16 bytes long.
 Data: <&#224;&#141;Va            > E0 8D 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020761568DE0, 992 bytes long.
 Data: <&#160; Va     &#249;Ua    > A0 80 56 61 07 02 00 00 10 F9 55 61 07 02 00 00 
{97} normal block at 0x000002076155F730, 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 0x000002076155DD90, 16 bytes long.
 Data: <&#208;tVa            > D0 74 56 61 07 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000207615674D0, 40 bytes long.
 Data: < &#221;Ua    0&#247;Ua    > 90 DD 55 61 07 02 00 00 30 F7 55 61 07 02 00 00 
{74} normal block at 0x000002076155D8E0, 16 bytes long.
 Data: < &#234;&#223;o&#247;           > 80 EA DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002076155DC50, 16 bytes long.
 Data: <@&#233;&#223;o&#247;           > 40 E9 DF 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002076155DD40, 16 bytes long.
 Data: <&#248;W&#220;o&#247;           > F8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002076155E560, 16 bytes long.
 Data: <&#216;W&#220;o&#247;           > D8 57 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002076155DA20, 16 bytes long.
 Data: <P &#220;o&#247;           > 50 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002076155E420, 16 bytes long.
 Data: <0 &#220;o&#247;           > 30 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002076155DC00, 16 bytes long.
 Data: <&#224; &#220;o&#247;           > E0 02 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002076155D930, 16 bytes long.
 Data: <  &#220;o&#247;           > 10 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002076155E510, 16 bytes long.
 Data: <p &#220;o&#247;           > 70 04 DC 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002076155E060, 16 bytes long.
 Data: < &#192;&#218;o&#247;           > 18 C0 DA 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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