Task 38681161

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5899_0
Workunit 31622842
Created 27 Oct 2026, 2:56:51 UTC
Sent 27 Oct 2026, 2:56:55 UTC
Report deadline 1 Nov 2026, 2:56:55 UTC
Received 27 Oct 2026, 13:34:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631132
Run time 28 min 6 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.16 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:02:41 (30588): wrapper (7.9.26016): starting
12:02:41 (30588): 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
12:02:42 (30588): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:02:42 (30588): 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\2\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\2\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) : {3835434} normal block at 0x0000020518E2E730, 8 bytes long.
 Data: <  ,     > 00 00 2C 19 05 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3834056} normal block at 0x000002051AEB41B0, 1080 bytes long.
 Data: < Q      t       > B8 51 00 00 CD CD CD CD 74 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020518E31290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
22:11:41 (26088): wrapper (7.9.26016): starting
22:11:41 (26088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\2\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
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
22:34:01 (26088): C:/Windows/system32/cmd.exe exited; CPU time 1246.906250
22:34:01 (26088): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 23717732 bytes.
Dumping objects ->
{1772} normal block at 0x000001C8192949A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1761} normal block at 0x000001C819294D90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1750} normal block at 0x000001C819294770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1739} normal block at 0x000001C8192948C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1728} normal block at 0x000001C8192947E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1697} normal block at 0x000001C81927B5E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1686} normal block at 0x000001C81927E560, 180 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) : {1683} normal block at 0x000001C819295B20, 8 bytes long.
 Data: <  b     > 00 00 62 19 C8 01 00 00 
{981} normal block at 0x000001C81927EEB0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{306} normal block at 0x000001C819295620, 8 bytes long.
 Data: <`i)     > 60 69 29 19 C8 01 00 00 
{297} normal block at 0x000001C819285F40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001C8192961B0, 16 bytes long.
 Data: <hh)             > 68 68 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C819295A80, 16 bytes long.
 Data: <@h)             > 40 68 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C81928FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001C8192959E0, 16 bytes long.
 Data: < h)             > 18 68 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C8192957B0, 16 bytes long.
 Data: < g)             > F0 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C819295D50, 16 bytes long.
 Data: < g)             > C8 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C819295940, 16 bytes long.
 Data: < g)             > A0 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C819294CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001C819296110, 16 bytes long.
 Data: <x '             > 78 B5 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C81928FE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001C819295D00, 16 bytes long.
 Data: <P '             > 50 B5 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C819296250, 16 bytes long.
 Data: <( '             > 28 B5 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C819295DA0, 16 bytes long.
 Data: <  '             > 00 B5 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C8192955D0, 16 bytes long.
 Data: <  '             > D8 B4 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C8192960C0, 16 bytes long.
 Data: <  '             > B0 B4 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C819295A30, 16 bytes long.
 Data: <  '             > 88 B4 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C81928F800, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001C819296160, 16 bytes long.
 Data: <` '             > 60 B4 27 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C81927B460, 320 bytes long.
 Data: <`a)       (     > 60 61 29 19 C8 01 00 00 00 F8 28 19 C8 01 00 00 
{276} normal block at 0x000001C8192958F0, 16 bytes long.
 Data: < g)             > 80 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C819295990, 16 bytes long.
 Data: <Xg)             > 58 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C81928FAA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001C819295710, 16 bytes long.
 Data: <0g)             > 30 67 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C81928FE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001C8192958A0, 16 bytes long.
 Data: <xf)             > 78 66 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C8192962A0, 16 bytes long.
 Data: <Pf)             > 50 66 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C819296070, 16 bytes long.
 Data: <(f)             > 28 66 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C819295CB0, 16 bytes long.
 Data: < f)             > 00 66 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C819295C10, 16 bytes long.
 Data: < e)             > D8 65 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C819295760, 16 bytes long.
 Data: < e)             > B0 65 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C8192964D0, 16 bytes long.
 Data: <0I)             > 30 49 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C819294930, 40 bytes long.
 Data: < d)       '     > D0 64 29 19 C8 01 00 00 E0 B5 27 19 C8 01 00 00 
{262} normal block at 0x000001C819295FD0, 16 bytes long.
 Data: < e)             > 90 65 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C819295C60, 16 bytes long.
 Data: <he)             > 68 65 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C819290220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001C819296480, 16 bytes long.
 Data: <@e)             > 40 65 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C819296540, 992 bytes long.
 Data: < d)       )     > 80 64 29 19 C8 01 00 00 20 02 29 19 C8 01 00 00 
{94} normal block at 0x000001C819290040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001C81928F630, 16 bytes long.
 Data: <PH)             > 50 48 29 19 C8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C819294850, 40 bytes long.
 Data: <0 (     @ )     > 30 F6 28 19 C8 01 00 00 40 00 29 19 C8 01 00 00 
{69} normal block at 0x000001C81928EFA0, 16 bytes long.
 Data: <                > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C81928F5E0, 16 bytes long.
 Data: <@               > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C81928F540, 16 bytes long.
 Data: < W              > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C81928E870, 16 bytes long.
 Data: < W              > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C81928F400, 16 bytes long.
 Data: <P               > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C81928ECD0, 16 bytes long.
 Data: <0               > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C81928E730, 16 bytes long.
 Data: <                > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C81928EF50, 16 bytes long.
 Data: <                > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C81928EF00, 16 bytes long.
 Data: <p               > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C81928F680, 16 bytes long.
 Data: <                > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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