Task 38689914

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8577_0
Workunit 31631127
Created 29 Oct 2026, 0:43:27 UTC
Sent 29 Oct 2026, 0:43:30 UTC
Report deadline 3 Nov 2026, 0:43:30 UTC
Received 29 Oct 2026, 1:53:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 588349
Run time 30 min 8 sec
CPU time 27 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 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 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:23:53 (65332): wrapper (7.9.26016): starting
21:23:53 (65332): 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
21:23:54 (65332): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:23:55 (65332): 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:\ProgramData\BOINC\slots\11\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:\ProgramData\BOINC\slots\11\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
21:53:16 (65332): C:/Windows/system32/cmd.exe exited; CPU time 1640.140625
21:53:16 (65332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
732 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: 46009537 bytes.
Dumping objects ->
{3835302} normal block at 0x000001C3E0CBEFA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000001C3DF0A6B30, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x000001C3DF0A6BA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x000001C3DF0A6890, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001C3DF0A6A50, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x000001C3E0D09E50, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x000001C3E0BBEC90, 238 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) : {3835213} normal block at 0x000001C3DF09E9B0, 8 bytes long.
 Data: <   &#223;&#195;   > 00 00 03 DF C3 01 00 00 
{3834593} normal block at 0x000001C3DF0A63F0, 238 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001C3DF09E910, 8 bytes long.
 Data: <p\&#217;&#224;&#195;   > 70 5C D9 E0 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001C3DF0A3260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C3DF0984C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001C3DF0A7860, 16 bytes long.
 Data: <X&#133; &#223;&#195;           > 58 85 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C3DF0A76D0, 16 bytes long.
 Data: <0&#133; &#223;&#195;           > 30 85 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C3DF0A1F10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001C3DF0A8030, 16 bytes long.
 Data: < &#133; &#223;&#195;           > 08 85 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C3DF0A7900, 16 bytes long.
 Data: <&#224;&#132; &#223;&#195;           > E0 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C3DF0A7BD0, 16 bytes long.
 Data: <&#184;&#132; &#223;&#195;           > B8 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C3DF0A7FE0, 16 bytes long.
 Data: < &#132; &#223;&#195;           > 90 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C3DF0A6CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001C3DF0A7400, 16 bytes long.
 Data: <&#248; 	&#223;&#195;           > F8 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C3DF0A2570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001C3DF0A8170, 16 bytes long.
 Data: <&#208; 	&#223;&#195;           > D0 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C3DF0A7F90, 16 bytes long.
 Data: <&#168; 	&#223;&#195;           > A8 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3DF0A7F40, 16 bytes long.
 Data: <  	&#223;&#195;           > 80 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3DF0A78B0, 16 bytes long.
 Data: <X 	&#223;&#195;           > 58 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3DF0A7EA0, 16 bytes long.
 Data: <0 	&#223;&#195;           > 30 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C3DF0A7AE0, 16 bytes long.
 Data: <  	&#223;&#195;           > 08 02 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C3DF0A2810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001C3DF0A7310, 16 bytes long.
 Data: <&#224; 	&#223;&#195;           > E0 01 09 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C3DF0901E0, 320 bytes long.
 Data: < s &#223;&#195;    ( &#223;&#195;   > 10 73 0A DF C3 01 00 00 10 28 0A DF C3 01 00 00 
{281} normal block at 0x000001C3DF0A7A90, 16 bytes long.
 Data: <p&#132; &#223;&#195;           > 70 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3DF0A7CC0, 16 bytes long.
 Data: <H&#132; &#223;&#195;           > 48 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3DF0A26F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001C3DF0A7540, 16 bytes long.
 Data: < &#132; &#223;&#195;           > 20 84 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3DF0A1CD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001C3DF0A7810, 16 bytes long.
 Data: <h&#131; &#223;&#195;           > 68 83 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C3DF0A74F0, 16 bytes long.
 Data: <@&#131; &#223;&#195;           > 40 83 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C3DF0A7D10, 16 bytes long.
 Data: < &#131; &#223;&#195;           > 18 83 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C3DF0A77C0, 16 bytes long.
 Data: <&#240;&#130; &#223;&#195;           > F0 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C3DF0A7B80, 16 bytes long.
 Data: <&#200;&#130; &#223;&#195;           > C8 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3DF0A74A0, 16 bytes long.
 Data: <&#160;&#130; &#223;&#195;           > A0 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C3DF0A79F0, 16 bytes long.
 Data: <&#192;j &#223;&#195;           > C0 6A 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3DF0A6AC0, 40 bytes long.
 Data: <&#240;y &#223;&#195;   P&#158;&#208;&#224;&#195;   > F0 79 0A DF C3 01 00 00 50 9E D0 E0 C3 01 00 00 
{267} normal block at 0x000001C3DF0A7E00, 16 bytes long.
 Data: < &#130; &#223;&#195;           > 80 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3DF0A7450, 16 bytes long.
 Data: <X&#130; &#223;&#195;           > 58 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3DF0A1C70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001C3DF0A7770, 16 bytes long.
 Data: <0&#130; &#223;&#195;           > 30 82 0A DF C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3DF0A8230, 992 bytes long.
 Data: <pw &#223;&#195;   p  &#223;&#195;   > 70 77 0A DF C3 01 00 00 70 1C 0A DF C3 01 00 00 
{99} normal block at 0x000001C3DF0A23F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001C3DF09EFA0, 16 bytes long.
 Data: <@&#209; &#223;&#195;           > 40 D1 08 DF C3 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001C3DF08D140, 40 bytes long.
 Data: <&#160;&#239;	&#223;&#195;   &#240;# &#223;&#195;   > A0 EF 09 DF C3 01 00 00 F0 23 0A DF C3 01 00 00 
{76} normal block at 0x000001C3DF09E870, 16 bytes long.
 Data: < &#234;P&#142;&#246;           > 80 EA 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C3DF09E8C0, 16 bytes long.
 Data: <@&#233;P&#142;&#246;           > 40 E9 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C3DF09EF50, 16 bytes long.
 Data: <&#248;WM&#142;&#246;           > F8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C3DF09EB40, 16 bytes long.
 Data: <&#216;WM&#142;&#246;           > D8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C3DF09F4A0, 16 bytes long.
 Data: <P M&#142;&#246;           > 50 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C3DF09F5E0, 16 bytes long.
 Data: <0 M&#142;&#246;           > 30 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C3DF09E820, 16 bytes long.
 Data: <&#224; M&#142;&#246;           > E0 02 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C3DF09F450, 16 bytes long.
 Data: <  M&#142;&#246;           > 10 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C3DF09EAF0, 16 bytes long.
 Data: <p M&#142;&#246;           > 70 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C3DF09F540, 16 bytes long.
 Data: < &#192;K&#142;&#246;           > 18 C0 4B 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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