Task 38685079

Name test_949-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8305_0
Workunit 31626566
Created 27 Oct 2026, 19:15:11 UTC
Sent 27 Oct 2026, 19:15:22 UTC
Report deadline 1 Nov 2026, 19:15:22 UTC
Received 27 Oct 2026, 20:19:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 58 min 20 sec
CPU time 45 min 3 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 694.41 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:22:51 (31740): wrapper (7.9.26016): starting
20:22:51 (31740): 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
20:22:57 (31740): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:22:57 (31740): 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\1\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\1\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
21:19:20 (31740): C:/Windows/system32/cmd.exe exited; CPU time 2703.250000
21:19:20 (31740): 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: 87341354 bytes.
Dumping objects ->
{3845033} normal block at 0x0000016661ED0B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3845022} normal block at 0x0000016661ED12C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3845011} normal block at 0x0000016661ED11E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3845000} normal block at 0x0000016661ED1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3844989} normal block at 0x0000016661ED0FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3844958} normal block at 0x0000016661FD77C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3844946} normal block at 0x0000016661FF0C80, 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) : {3844943} normal block at 0x00000166604E9600, 8 bytes long.
 Data: <   bf   > 00 00 0F 62 66 01 00 00 
{3844286} normal block at 0x0000016661FEFB00, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3843652} normal block at 0x00000166604E9510, 8 bytes long.
 Data: < v bf   > 00 76 03 62 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000166604F4F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000166604F8480, 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 0x00000166604F6A00, 16 bytes long.
 Data: <&#248;wO`f           > F8 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000166604F69B0, 16 bytes long.
 Data: <&#208;wO`f           > D0 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000166604EE6A0, 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 0x00000166604F6EB0, 16 bytes long.
 Data: <&#168;wO`f           > A8 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000166604F6370, 16 bytes long.
 Data: < wO`f           > 80 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000166604F6E60, 16 bytes long.
 Data: <XwO`f           > 58 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000166604F6230, 16 bytes long.
 Data: <0wO`f           > 30 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000166604EF730, 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 0x00000166604F6140, 16 bytes long.
 Data: <&#248;]O`f           > F8 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000166604EEC40, 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 0x00000166604F6960, 16 bytes long.
 Data: <&#208;]O`f           > D0 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000166604F6E10, 16 bytes long.
 Data: <&#168;]O`f           > A8 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000166604F6820, 16 bytes long.
 Data: < ]O`f           > 80 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000166604F6320, 16 bytes long.
 Data: <X]O`f           > 58 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000166604F6460, 16 bytes long.
 Data: <0]O`f           > 30 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000166604F6780, 16 bytes long.
 Data: < ]O`f           > 08 5D 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000166604EE640, 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 0x00000166604F6910, 16 bytes long.
 Data: <&#224;\O`f           > E0 5C 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000166604F5CE0, 320 bytes long.
 Data: < iO`f   @&#230;N`f   > 10 69 4F 60 66 01 00 00 40 E6 4E 60 66 01 00 00 
{290} normal block at 0x00000166604F6870, 16 bytes long.
 Data: < wO`f           > 10 77 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000166604F65F0, 16 bytes long.
 Data: <&#232;vO`f           > E8 76 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000166604EE7C0, 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 0x00000166604F6730, 16 bytes long.
 Data: <&#192;vO`f           > C0 76 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000166604EE460, 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 0x00000166604F66E0, 16 bytes long.
 Data: < vO`f           > 08 76 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000166604F6690, 16 bytes long.
 Data: <&#224;uO`f           > E0 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000166604F65A0, 16 bytes long.
 Data: <&#184;uO`f           > B8 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000166604F60A0, 16 bytes long.
 Data: < uO`f           > 90 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000166604F6050, 16 bytes long.
 Data: <huO`f           > 68 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000166604F6000, 16 bytes long.
 Data: <@uO`f           > 40 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000166604F6AA0, 16 bytes long.
 Data: < &#241;N`f           > 10 F1 4E 60 66 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000166604EF110, 40 bytes long.
 Data: <&#160;jO`f   &#192;w&#253;af   > A0 6A 4F 60 66 01 00 00 C0 77 FD 61 66 01 00 00 
{276} normal block at 0x00000166604F5FB0, 16 bytes long.
 Data: < uO`f           > 20 75 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000166604F6DC0, 16 bytes long.
 Data: <&#248;tO`f           > F8 74 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000166604EEF40, 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 0x00000166604F6D70, 16 bytes long.
 Data: <&#208;tO`f           > D0 74 4F 60 66 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000166604F74D0, 992 bytes long.
 Data: <pmO`f   @&#239;N`f   > 70 6D 4F 60 66 01 00 00 40 EF 4E 60 66 01 00 00 
{108} normal block at 0x00000166604EEA60, 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 0x00000166604E9560, 16 bytes long.
 Data: <&#224;&#245;N`f           > E0 F5 4E 60 66 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000166604EF5E0, 40 bytes long.
 Data: <`&#149;N`f   `&#234;N`f   > 60 95 4E 60 66 01 00 00 60 EA 4E 60 66 01 00 00 
{85} normal block at 0x00000166604E97E0, 16 bytes long.
 Data: < &#234;&#186;^&#246;           > 80 EA BA 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000166604EA3C0, 16 bytes long.
 Data: <@&#233;&#186;^&#246;           > 40 E9 BA 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000166604E9DD0, 16 bytes long.
 Data: <&#248;W&#183;^&#246;           > F8 57 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000166604EA2D0, 16 bytes long.
 Data: <&#216;W&#183;^&#246;           > D8 57 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000166604E9920, 16 bytes long.
 Data: <P &#183;^&#246;           > 50 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000166604EA280, 16 bytes long.
 Data: <0 &#183;^&#246;           > 30 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000166604EA230, 16 bytes long.
 Data: <&#224; &#183;^&#246;           > E0 02 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000166604E9D30, 16 bytes long.
 Data: <  &#183;^&#246;           > 10 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000166604EA190, 16 bytes long.
 Data: <p &#183;^&#246;           > 70 04 B7 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000166604E9FB0, 16 bytes long.
 Data: < &#192;&#181;^&#246;           > 18 C0 B5 5E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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