Task 38661600

Name test_716-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND6970_0
Workunit 31605009
Created 24 Oct 2026, 16:00:48 UTC
Sent 24 Oct 2026, 17:48:06 UTC
Report deadline 29 Oct 2026, 17:48:06 UTC
Received 25 Oct 2026, 1:29:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 45 min 37 sec
CPU time 38 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.04 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:59:47 (17848): wrapper (7.9.26016): starting
19:59:47 (17848): 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
19:59:50 (17848): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:59:50 (17848): 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 'E:\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 'E:\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
20:43:02 (17848): C:/Windows/system32/cmd.exe exited; CPU time 2297.890625
20:43:02 (17848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 47738075 bytes.
Dumping objects ->
{3835197} normal block at 0x00000190DA47E250, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x00000190DC025740, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000190DC025BC0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x00000190DC0256E0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x00000190DC025980, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x00000190DA47E170, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x00000190DA4774F0, 8 bytes long.
 Data: <  C&#218;    > 00 00 43 DA 90 01 00 00 
{3833953} normal block at 0x00000190DA477C20, 8 bytes long.
 Data: <&#224;t&#254;&#219;    > E0 74 FE DB 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000190DA481330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000190DA47D9D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000190DA482460, 16 bytes long.
 Data: <(8H&#218;            > 28 38 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000190DA482410, 16 bytes long.
 Data: < 8H&#218;            > 00 38 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000190DA47CD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000190DA482CD0, 16 bytes long.
 Data: <&#216;7H&#218;            > D8 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000190DA4823C0, 16 bytes long.
 Data: <&#176;7H&#218;            > B0 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000190DA482960, 16 bytes long.
 Data: < 7H&#218;            > 88 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000190DA482AA0, 16 bytes long.
 Data: <`7H&#218;            > 60 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000190DA47E090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000190DA482140, 16 bytes long.
 Data: <&#216;`F&#218;            > D8 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000190DA47C930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000190DA482EB0, 16 bytes long.
 Data: <&#176;`F&#218;            > B0 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000190DA482230, 16 bytes long.
 Data: < `F&#218;            > 88 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000190DA4828C0, 16 bytes long.
 Data: <``F&#218;            > 60 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000190DA482E60, 16 bytes long.
 Data: <8`F&#218;            > 38 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000190DA482820, 16 bytes long.
 Data: < `F&#218;            > 10 60 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000190DA482780, 16 bytes long.
 Data: <&#232;_F&#218;            > E8 5F 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000190DA47C8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000190DA482F00, 16 bytes long.
 Data: <&#192;_F&#218;            > C0 5F 46 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000190DA465FC0, 320 bytes long.
 Data: < /H&#218;    &#208;&#200;G&#218;    > 00 2F 48 DA 90 01 00 00 D0 C8 47 DA 90 01 00 00 
{272} normal block at 0x00000190DA482190, 16 bytes long.
 Data: <@7H&#218;            > 40 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000190DA482910, 16 bytes long.
 Data: < 7H&#218;            > 18 37 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000190DA47CC30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000190DA4826E0, 16 bytes long.
 Data: <&#240;6H&#218;            > F0 36 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000190DA47C630, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000190DA483040, 16 bytes long.
 Data: <86H&#218;            > 38 36 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000190DA482FA0, 16 bytes long.
 Data: < 6H&#218;            > 10 36 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000190DA482870, 16 bytes long.
 Data: <&#232;5H&#218;            > E8 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000190DA4829B0, 16 bytes long.
 Data: <&#192;5H&#218;            > C0 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000190DA482D70, 16 bytes long.
 Data: < 5H&#218;            > 98 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000190DA482640, 16 bytes long.
 Data: <p5H&#218;            > 70 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000190DA482280, 16 bytes long.
 Data: < &#228;G&#218;            > 80 E4 47 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000190DA47E480, 40 bytes long.
 Data: < "H&#218;    p&#225;G&#218;    > 80 22 48 DA 90 01 00 00 70 E1 47 DA 90 01 00 00 
{258} normal block at 0x00000190DA482E10, 16 bytes long.
 Data: <P5H&#218;            > 50 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000190DA482320, 16 bytes long.
 Data: <(5H&#218;            > 28 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000190DA47C5D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000190DA482370, 16 bytes long.
 Data: < 5H&#218;            > 00 35 48 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000190DA483500, 992 bytes long.
 Data: <p#H&#218;    &#208;&#197;G&#218;    > 70 23 48 DA 90 01 00 00 D0 C5 47 DA 90 01 00 00 
{90} normal block at 0x00000190DA47C870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000190DA4774A0, 16 bytes long.
 Data: <&#160;&#227;G&#218;            > A0 E3 47 DA 90 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000190DA47E3A0, 40 bytes long.
 Data: <&#160;tG&#218;    p&#200;G&#218;    > A0 74 47 DA 90 01 00 00 70 C8 47 DA 90 01 00 00 
{67} normal block at 0x00000190DA478030, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000190DA477630, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000190DA477400, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000190DA477B80, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000190DA477680, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000190DA477B30, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000190DA477C70, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000190DA477950, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000190DA4782B0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000190DA478260, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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