Task 38658602

Name test_997-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND9002_0
Workunit 31602177
Created 24 Oct 2026, 12:50:15 UTC
Sent 24 Oct 2026, 13:48:51 UTC
Report deadline 29 Oct 2026, 13:48:51 UTC
Received 24 Oct 2026, 14:33:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 39 min 51 sec
CPU time 35 min 16 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 687.76 MB
Peak swap size 5.34 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:55:43 (16316): wrapper (7.9.26016): starting
15:55:43 (16316): 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
15:55:47 (16316): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:55:47 (16316): 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\4\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\4\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
16:33:33 (16316): C:/Windows/system32/cmd.exe exited; CPU time 2116.453125
16:33:33 (16316): 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: 52317344 bytes.
Dumping objects ->
{3835369} normal block at 0x00000164EFCB0DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000164EFCB0920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x00000164EFCB12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835336} normal block at 0x00000164EFCB0990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x00000164EFCB1250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835294} normal block at 0x00000164EFDC8D40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x00000164EFDE0D20, 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) : {3835280} normal block at 0x00000164EE259E20, 8 bytes long.
 Data: <   &#238;d   > 00 00 1F EE 64 01 00 00 
{3834623} normal block at 0x00000164EFDE1040, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000164EE259B00, 8 bytes long.
 Data: <&#176;u&#229;&#239;d   > B0 75 E5 EF 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000164EE264F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000164EE2683F0, 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 0x00000164EE266D20, 16 bytes long.
 Data: <&#248;w&&#238;d           > F8 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000164EE266550, 16 bytes long.
 Data: <&#208;w&&#238;d           > D0 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000164EE25EDC0, 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 0x00000164EE266050, 16 bytes long.
 Data: <&#168;w&&#238;d           > A8 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000164EE266640, 16 bytes long.
 Data: < w&&#238;d           > 80 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000164EE266B40, 16 bytes long.
 Data: <Xw&&#238;d           > 58 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000164EE266500, 16 bytes long.
 Data: <0w&&#238;d           > 30 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000164EE25F650, 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 0x00000164EE266CD0, 16 bytes long.
 Data: <&#248;]&&#238;d           > F8 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000164EE25E340, 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 0x00000164EE266EB0, 16 bytes long.
 Data: <&#208;]&&#238;d           > D0 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000164EE266AF0, 16 bytes long.
 Data: <&#168;]&&#238;d           > A8 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000164EE266AA0, 16 bytes long.
 Data: < ]&&#238;d           > 80 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000164EE266A50, 16 bytes long.
 Data: <X]&&#238;d           > 58 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000164EE2667D0, 16 bytes long.
 Data: <0]&&#238;d           > 30 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000164EE266410, 16 bytes long.
 Data: < ]&&#238;d           > 08 5D 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000164EE25E700, 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 0x00000164EE266000, 16 bytes long.
 Data: <&#224;\&&#238;d           > E0 5C 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000164EE265CE0, 320 bytes long.
 Data: < `&&#238;d    &#231;%&#238;d   > 00 60 26 EE 64 01 00 00 00 E7 25 EE 64 01 00 00 
{290} normal block at 0x00000164EE266780, 16 bytes long.
 Data: < w&&#238;d           > 10 77 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000164EE266960, 16 bytes long.
 Data: <&#232;v&&#238;d           > E8 76 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000164EE25E7C0, 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 0x00000164EE266A00, 16 bytes long.
 Data: <&#192;v&&#238;d           > C0 76 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000164EE25EA00, 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 0x00000164EE266190, 16 bytes long.
 Data: < v&&#238;d           > 08 76 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000164EE266C30, 16 bytes long.
 Data: <&#224;u&&#238;d           > E0 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000164EE266730, 16 bytes long.
 Data: <&#184;u&&#238;d           > B8 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000164EE266910, 16 bytes long.
 Data: < u&&#238;d           > 90 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000164EE2666E0, 16 bytes long.
 Data: <hu&&#238;d           > 68 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000164EE266140, 16 bytes long.
 Data: <@u&&#238;d           > 40 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000164EE266870, 16 bytes long.
 Data: <&#208;&#242;%&#238;d           > D0 F2 25 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000164EE25F2D0, 40 bytes long.
 Data: <ph&&#238;d   @ &#220;&#239;d   > 70 68 26 EE 64 01 00 00 40 8D DC EF 64 01 00 00 
{276} normal block at 0x00000164EE2660F0, 16 bytes long.
 Data: < u&&#238;d           > 20 75 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000164EE266E60, 16 bytes long.
 Data: <&#248;t&&#238;d           > F8 74 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000164EE25EB20, 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 0x00000164EE266690, 16 bytes long.
 Data: <&#208;t&&#238;d           > D0 74 26 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000164EE2674D0, 992 bytes long.
 Data: < f&&#238;d    &#235;%&#238;d   > 90 66 26 EE 64 01 00 00 20 EB 25 EE 64 01 00 00 
{108} normal block at 0x00000164EE25E640, 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 0x00000164EE259920, 16 bytes long.
 Data: <p&#245;%&#238;d           > 70 F5 25 EE 64 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000164EE25F570, 40 bytes long.
 Data: <  %&#238;d   @&#230;%&#238;d   > 20 99 25 EE 64 01 00 00 40 E6 25 EE 64 01 00 00 
{85} normal block at 0x00000164EE25A370, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000164EE2597E0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000164EE25A0F0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000164EE259A60, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000164EE25A320, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000164EE25A230, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000164EE259EC0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000164EE259470, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000164EE259790, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000164EE259600, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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