Task 38667072

Name test_703-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9644_1
Workunit 31609727
Created 25 Oct 2026, 6:12:58 UTC
Sent 25 Oct 2026, 6:13:10 UTC
Report deadline 30 Oct 2026, 6:13:10 UTC
Received 25 Oct 2026, 7:10:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 635377
Run time 56 min 58 sec
CPU time 54 min 43 sec
Validate state Valid
Credit 60,000.00
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 732.30 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:14:39 (7668): wrapper (7.9.26016): starting
07:14:39 (7668): 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
07:14:40 (7668): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:14:40 (7668): 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
08:10:16 (7668): C:/Windows/system32/cmd.exe exited; CPU time 3283.625000
08:10:16 (7668): 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: 52357103 bytes.
Dumping objects ->
{3835638} normal block at 0x0000017103D5FCA0, 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 0x0000017103D60250, 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 0x0000017103D5FA70, 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 0x0000017103D60100, 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 0x0000017102147850, 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 0x0000017103DA7350, 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 0x000001710213C000, 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 0x000001710213DA70, 8 bytes long.
 Data: <  W q   > 00 00 57 02 71 01 00 00 
{3834745} normal block at 0x000001710213BAB0, 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 0x000001710213E1A0, 8 bytes long.
 Data: <0&#220;  q   > 30 DC 12 02 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017102141EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017102137030, 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 0x0000017102148410, 16 bytes long.
 Data: < &#145;  q           > 08 91 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017102147FB0, 16 bytes long.
 Data: <&#224;   q           > E0 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001710213FBB0, 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 0x00000171021481E0, 16 bytes long.
 Data: <&#184;   q           > B8 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017102148000, 16 bytes long.
 Data: <    q           > 90 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017102148370, 16 bytes long.
 Data: <h   q           > 68 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017102148D20, 16 bytes long.
 Data: <@   q           > 40 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000171021477E0, 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 0x0000017102148190, 16 bytes long.
 Data: <H&#150;  q           > 48 96 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001710213FDF0, 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 0x0000017102148140, 16 bytes long.
 Data: < &#150;  q           > 20 96 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171021485A0, 16 bytes long.
 Data: <&#248;&#149;  q           > F8 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017102148500, 16 bytes long.
 Data: <&#208;&#149;  q           > D0 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017102148050, 16 bytes long.
 Data: <&#168;&#149;  q           > A8 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017102147E70, 16 bytes long.
 Data: < &#149;  q           > 80 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017102148D70, 16 bytes long.
 Data: <X&#149;  q           > 58 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001710213F790, 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 0x00000171021483C0, 16 bytes long.
 Data: <0&#149;  q           > 30 95 13 02 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017102139530, 320 bytes long.
 Data: <&#192;   q    &#247;  q   > C0 83 14 02 71 01 00 00 90 F7 13 02 71 01 00 00 
{279} normal block at 0x0000017102148780, 16 bytes long.
 Data: <    q           > 20 90 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017102147E20, 16 bytes long.
 Data: <&#248;&#143;  q           > F8 8F 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001710213FB50, 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 0x0000017102148730, 16 bytes long.
 Data: <&#208;&#143;  q           > D0 8F 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001710213FF10, 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 0x0000017102148B40, 16 bytes long.
 Data: < &#143;  q           > 18 8F 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017102148A00, 16 bytes long.
 Data: <&#240;&#142;  q           > F0 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000171021480A0, 16 bytes long.
 Data: <&#200;&#142;  q           > C8 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000171021489B0, 16 bytes long.
 Data: <&#160;&#142;  q           > A0 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000171021486E0, 16 bytes long.
 Data: <x&#142;  q           > 78 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017102148230, 16 bytes long.
 Data: <P&#142;  q           > 50 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017102148CD0, 16 bytes long.
 Data: < v  q           > 20 76 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017102147620, 40 bytes long.
 Data: <&#208;&#140;  q   Ps&#218; q   > D0 8C 14 02 71 01 00 00 50 73 DA 03 71 01 00 00 
{265} normal block at 0x00000171021484B0, 16 bytes long.
 Data: <0&#142;  q           > 30 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017102148C80, 16 bytes long.
 Data: < &#142;  q           > 08 8E 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001710213F6D0, 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 0x0000017102148C30, 16 bytes long.
 Data: <&#224;&#141;  q           > E0 8D 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017102148DE0, 992 bytes long.
 Data: <0&#140;  q   &#208;&#246;  q   > 30 8C 14 02 71 01 00 00 D0 F6 13 02 71 01 00 00 
{97} normal block at 0x000001710213F910, 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 0x000001710213DE30, 16 bytes long.
 Data: <`t  q           > 60 74 14 02 71 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000017102147460, 40 bytes long.
 Data: <0&#222;  q    &#249;  q   > 30 DE 13 02 71 01 00 00 10 F9 13 02 71 01 00 00 
{74} normal block at 0x000001710213E470, 16 bytes long.
 Data: < &#234; F&#247;           > 80 EA 80 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001710213DC50, 16 bytes long.
 Data: <@&#233; F&#247;           > 40 E9 80 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001710213DA20, 16 bytes long.
 Data: <&#248;W}F&#247;           > F8 57 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001710213DD40, 16 bytes long.
 Data: <&#216;W}F&#247;           > D8 57 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001710213D9D0, 16 bytes long.
 Data: <P }F&#247;           > 50 04 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001710213DC00, 16 bytes long.
 Data: <0 }F&#247;           > 30 04 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001710213E3D0, 16 bytes long.
 Data: <&#224; }F&#247;           > E0 02 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001710213DED0, 16 bytes long.
 Data: <  }F&#247;           > 10 04 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001710213E380, 16 bytes long.
 Data: <p }F&#247;           > 70 04 7D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001710213D980, 16 bytes long.
 Data: < &#192;{F&#247;           > 18 C0 7B 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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