Task 38681444

Name test_818-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND3842_0
Workunit 31623109
Created 27 Oct 2026, 4:01:45 UTC
Sent 27 Oct 2026, 4:01:48 UTC
Report deadline 1 Nov 2026, 4:01:48 UTC
Received 27 Oct 2026, 6:30:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 1 hours 4 min 24 sec
CPU time 51 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.79 MB
Peak swap size 2.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:19:25 (2236): wrapper (7.9.26016): starting
08:19:25 (2236): 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
08:19:28 (2236): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:19:28 (2236): 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 'D:\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 'D:\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
09:21:27 (2236): C:/Windows/system32/cmd.exe exited; CPU time 3087.328125
09:21:27 (2236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 60534337 bytes.
Dumping objects ->
{3835529} normal block at 0x0000021447FC11A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000021449AE5410, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x0000021449AE4870, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x0000021449AE5350, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x0000021449AE3FD0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x0000021447FC1050, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x0000021447FB9AA0, 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) : {3835440} normal block at 0x0000021447FB70A0, 8 bytes long.
 Data: <  &#247;G    > 00 00 F7 47 14 02 00 00 
{3834685} normal block at 0x0000021447FBA540, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000021447FB75A0, 8 bytes long.
 Data: < q&#170;I    > 10 71 AA 49 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000021447FC1E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021447FA5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000021447FC2E80, 16 bytes long.
 Data: < ?&#252;G            > 88 3F FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021447FC35B0, 16 bytes long.
 Data: <`?&#252;G            > 60 3F FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021447FBC4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000021447FC3290, 16 bytes long.
 Data: <8?&#252;G            > 38 3F FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021447FC2D90, 16 bytes long.
 Data: < ?&#252;G            > 10 3F FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021447FC3790, 16 bytes long.
 Data: <&#232;>&#252;G            > E8 3E FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021447FC3BF0, 16 bytes long.
 Data: <&#192;>&#252;G            > C0 3E FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021447FC1360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000021447FC2F20, 16 bytes long.
 Data: <&#184;^&#250;G            > B8 5E FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021447FBBDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000021447FC3060, 16 bytes long.
 Data: <&#144;^&#250;G            > 90 5E FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021447FC3510, 16 bytes long.
 Data: <h^&#250;G            > 68 5E FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021447FC3010, 16 bytes long.
 Data: <@^&#250;G            > 40 5E FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021447FC3330, 16 bytes long.
 Data: < ^&#250;G            > 18 5E FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021447FC2CA0, 16 bytes long.
 Data: <&#240;]&#250;G            > F0 5D FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021447FC2D40, 16 bytes long.
 Data: <&#200;]&#250;G            > C8 5D FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021447FBBF10, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x0000021447FC36F0, 16 bytes long.
 Data: <&#160;]&#250;G            > A0 5D FA 47 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021447FA5DA0, 320 bytes long.
 Data: <&#240;6&#252;G     &#191;&#251;G    > F0 36 FC 47 14 02 00 00 10 BF FB 47 14 02 00 00 
{267} normal block at 0x0000021447FC2FC0, 16 bytes long.
 Data: <&#160;>&#252;G            > A0 3E FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021447FC3560, 16 bytes long.
 Data: <x>&#252;G            > 78 3E FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021447FBC2D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000021447FC2DE0, 16 bytes long.
 Data: <P>&#252;G            > 50 3E FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021447FBBA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000021447FC3970, 16 bytes long.
 Data: < =&#252;G            > 98 3D FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021447FC3B50, 16 bytes long.
 Data: <p=&#252;G            > 70 3D FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021447FC3BA0, 16 bytes long.
 Data: <H=&#252;G            > 48 3D FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021447FC2ED0, 16 bytes long.
 Data: < =&#252;G            > 20 3D FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021447FC3B00, 16 bytes long.
 Data: <&#248;<&#252;G            > F8 3C FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021447FC36A0, 16 bytes long.
 Data: <&#208;<&#252;G            > D0 3C FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021447FC31F0, 16 bytes long.
 Data: <&#224; &#252;G            > E0 16 FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021447FC16E0, 40 bytes long.
 Data: <&#240;1&#252;G    P &#252;G    > F0 31 FC 47 14 02 00 00 50 10 FC 47 14 02 00 00 
{253} normal block at 0x0000021447FC3150, 16 bytes long.
 Data: <&#176;<&#252;G            > B0 3C FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021447FC3240, 16 bytes long.
 Data: < <&#252;G            > 88 3C FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021447FBC570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000021447FC3880, 16 bytes long.
 Data: <`<&#252;G            > 60 3C FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000021447FC3C60, 992 bytes long.
 Data: <&#128;8&#252;G    p&#197;&#251;G    > 80 38 FC 47 14 02 00 00 70 C5 FB 47 14 02 00 00 
{85} normal block at 0x0000021447FBC690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000021447FB6AB0, 16 bytes long.
 Data: <p &#252;G            > 70 16 FC 47 14 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000021447FC1670, 40 bytes long.
 Data: <&#176;j&#251;G    &#144;&#198;&#251;G    > B0 6A FB 47 14 02 00 00 90 C6 FB 47 14 02 00 00 
{62} normal block at 0x0000021447FB6A10, 16 bytes long.
 Data: <&#128;&#234;lG&#246;           > 80 EA 6C 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021447FB6D80, 16 bytes long.
 Data: <@&#233;lG&#246;           > 40 E9 6C 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021447FB6CE0, 16 bytes long.
 Data: <&#248;WiG&#246;           > F8 57 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021447FB70F0, 16 bytes long.
 Data: <&#216;WiG&#246;           > D8 57 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021447FB7820, 16 bytes long.
 Data: <P iG&#246;           > 50 04 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021447FB72D0, 16 bytes long.
 Data: <0 iG&#246;           > 30 04 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021447FB77D0, 16 bytes long.
 Data: <&#224; iG&#246;           > E0 02 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021447FB7410, 16 bytes long.
 Data: <  iG&#246;           > 10 04 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021447FB7780, 16 bytes long.
 Data: <p iG&#246;           > 70 04 69 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000021447FB6D30, 16 bytes long.
 Data: < &#192;gG&#246;           > 18 C0 67 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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