Task 38647576

Name test_467-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND6262_0
Workunit 31592304
Created 23 Oct 2026, 20:13:59 UTC
Sent 23 Oct 2026, 20:24:54 UTC
Report deadline 28 Oct 2026, 20:24:54 UTC
Received 23 Oct 2026, 21:16:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 43 min 5 sec
CPU time 36 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.53 MB
Peak swap size 5.34 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:34:46 (33536): wrapper (7.9.26016): starting
22:34:46 (33536): 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
22:34:57 (33536): Library/usr/bin/tar.exe exited; CPU time 0.109375
22:34:57 (33536): 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\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 'C:\ProgramData\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835280} normal block at 0x000002236CD5AA80, 8 bytes long.
 Data: <   l#   > 00 00 CE 6C 23 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833988} normal block at 0x000002236CD41810, 1080 bytes long.
 Data: < |              > DC 7C 00 00 CD CD CD CD D0 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002236CD59220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
23:13:46 (4864): wrapper (7.9.26016): starting
23:13:46 (4864): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d&#130;j&#133;.
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
23:15:44 (4864): C:/Windows/system32/cmd.exe exited; CPU time 76.421875
23:15:44 (4864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 2425445 bytes.
Dumping objects ->
{3850052} normal block at 0x0000016F6E881250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850041} normal block at 0x0000016F6E881020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850030} normal block at 0x0000016F6E881640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850019} normal block at 0x0000016F6E880990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850008} normal block at 0x0000016F6E880AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849977} normal block at 0x0000016F6E931BE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849966} normal block at 0x0000016F6E88E610, 85 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) : {3849963} normal block at 0x0000016F6CE0C9B0, 8 bytes long.
 Data: <  qno   > 00 00 71 6E 6F 01 00 00 
{3849306} normal block at 0x0000016F6E88E2F0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848672} normal block at 0x0000016F6CE0C3C0, 8 bytes long.
 Data: <p&#235;&#238;lo   > 70 EB EE 6C 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000016F6CE14DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000016F6CDFD620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000016F6CE18E00, 16 bytes long.
 Data: <xJ&#225;lo           > 78 4A E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000016F6CE19940, 16 bytes long.
 Data: <PJ&#225;lo           > 50 4A E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000016F6CE15640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000016F6CE196C0, 16 bytes long.
 Data: <(J&#225;lo           > 28 4A E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000016F6CE19440, 16 bytes long.
 Data: < J&#225;lo           > 00 4A E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000016F6CE19210, 16 bytes long.
 Data: <&#216;I&#225;lo           > D8 49 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000016F6CE18F90, 16 bytes long.
 Data: <&#176;I&#225;lo           > B0 49 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000016F6CE16720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000016F6CE19620, 16 bytes long.
 Data: <8F&#225;lo           > 38 46 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000016F6CE15DC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000016F6CE19580, 16 bytes long.
 Data: < F&#225;lo           > 10 46 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016F6CE19120, 16 bytes long.
 Data: <&#232;E&#225;lo           > E8 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016F6CE195D0, 16 bytes long.
 Data: <&#192;E&#225;lo           > C0 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016F6CE191C0, 16 bytes long.
 Data: < E&#225;lo           > 98 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016F6CE19B20, 16 bytes long.
 Data: <pE&#225;lo           > 70 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016F6CE198F0, 16 bytes long.
 Data: <HE&#225;lo           > 48 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016F6CE15520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000016F6CE19350, 16 bytes long.
 Data: < E&#225;lo           > 20 45 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016F6CE14520, 320 bytes long.
 Data: <P&#147;&#225;lo    U&#225;lo   > 50 93 E1 6C 6F 01 00 00 20 55 E1 6C 6F 01 00 00 
{290} normal block at 0x0000016F6CE19BC0, 16 bytes long.
 Data: < I&#225;lo           > 90 49 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016F6CE198A0, 16 bytes long.
 Data: <hI&#225;lo           > 68 49 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016F6CE159A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000016F6CE18E50, 16 bytes long.
 Data: <@I&#225;lo           > 40 49 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016F6CE15280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000016F6CE19530, 16 bytes long.
 Data: < H&#225;lo           > 88 48 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016F6CE18F40, 16 bytes long.
 Data: <`H&#225;lo           > 60 48 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016F6CE19800, 16 bytes long.
 Data: <8H&#225;lo           > 38 48 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016F6CE19D00, 16 bytes long.
 Data: < H&#225;lo           > 10 48 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016F6CE190D0, 16 bytes long.
 Data: <&#232;G&#225;lo           > E8 47 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016F6CE197B0, 16 bytes long.
 Data: <&#192;G&#225;lo           > C0 47 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016F6CE19670, 16 bytes long.
 Data: <pa&#225;lo           > 70 61 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016F6CE16170, 40 bytes long.
 Data: <p&#150;&#225;lo   &#224; &#147;no   > 70 96 E1 6C 6F 01 00 00 E0 1B 93 6E 6F 01 00 00 
{276} normal block at 0x0000016F6CE19A80, 16 bytes long.
 Data: <&#160;G&#225;lo           > A0 47 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016F6CE19CB0, 16 bytes long.
 Data: <xG&#225;lo           > 78 47 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016F6CE15880, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000016F6CE19C60, 16 bytes long.
 Data: <PG&#225;lo           > 50 47 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016F6CE14750, 992 bytes long.
 Data: <`&#156;&#225;lo    X&#225;lo   > 60 9C E1 6C 6F 01 00 00 80 58 E1 6C 6F 01 00 00 
{108} normal block at 0x0000016F6CE15220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000016F6CE0BE20, 16 bytes long.
 Data: <&#240;d&#225;lo           > F0 64 E1 6C 6F 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000016F6CE164F0, 40 bytes long.
 Data: < &#190;&#224;lo    R&#225;lo   > 20 BE E0 6C 6F 01 00 00 20 52 E1 6C 6F 01 00 00 
{85} normal block at 0x0000016F6CE0BDD0, 16 bytes long.
 Data: < &#234;pm&#246;           > 80 EA 70 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000016F6CE0CAF0, 16 bytes long.
 Data: <@&#233;pm&#246;           > 40 E9 70 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000016F6CE0CBE0, 16 bytes long.
 Data: <&#248;Wmm&#246;           > F8 57 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000016F6CE0C640, 16 bytes long.
 Data: <&#216;Wmm&#246;           > D8 57 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000016F6CE0C370, 16 bytes long.
 Data: <P mm&#246;           > 50 04 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000016F6CE0C320, 16 bytes long.
 Data: <0 mm&#246;           > 30 04 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000016F6CE0CA50, 16 bytes long.
 Data: <&#224; mm&#246;           > E0 02 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000016F6CE0BEC0, 16 bytes long.
 Data: <  mm&#246;           > 10 04 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000016F6CE0BD80, 16 bytes long.
 Data: <p mm&#246;           > 70 04 6D 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000016F6CE0C500, 16 bytes long.
 Data: < &#192;km&#246;           > 18 C0 6B 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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