Task 38687804

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7593_0
Workunit 31629181
Created 28 Oct 2026, 9:51:45 UTC
Sent 28 Oct 2026, 9:51:55 UTC
Report deadline 2 Nov 2026, 9:51:55 UTC
Received 28 Oct 2026, 10:14:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 21 min 26 sec
CPU time 21 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.61 MB
Peak swap size 12.99 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:52:57 (15520): wrapper (7.9.26016): starting
02:52:57 (15520): 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
02:52:58 (15520): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:52:58 (15520): 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.
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
03:13:31 (15520): C:/Windows/system32/cmd.exe exited; CPU time 1268.031250
03:13:31 (15520): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 13693163 bytes.
Dumping objects ->
{3835314} normal block at 0x0000023985444A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x00000239854449A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x0000023985444700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x0000023985444930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000023985444C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x0000023987194D80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000239871AEF40, 102 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) : {3835225} normal block at 0x000002398543EB10, 8 bytes long.
 Data: <  &#142;&#133;9   > 00 00 8E 85 39 02 00 00 
{3834574} normal block at 0x00000239871AE860, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002398543EBB0, 8 bytes long.
 Data: < &#170;F&#133;9   > 80 AA 46 85 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000239854412B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023985436610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000239854461C0, 16 bytes long.
 Data: <8gD&#133;9           > 38 67 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023985445810, 16 bytes long.
 Data: < gD&#133;9           > 10 67 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002398543FF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000239854460D0, 16 bytes long.
 Data: <&#232;fD&#133;9           > E8 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000239854463A0, 16 bytes long.
 Data: <&#192;fD&#133;9           > C0 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023985446350, 16 bytes long.
 Data: < fD&#133;9           > 98 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023985445770, 16 bytes long.
 Data: <pfD&#133;9           > 70 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023985444CB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000023985446080, 16 bytes long.
 Data: <  C&#133;9           > 18 90 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023985440000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000023985445590, 16 bytes long.
 Data: <&#240; C&#133;9           > F0 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023985445720, 16 bytes long.
 Data: <&#200; C&#133;9           > C8 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023985445EF0, 16 bytes long.
 Data: <&#160; C&#133;9           > A0 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239854456D0, 16 bytes long.
 Data: <x C&#133;9           > 78 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023985446260, 16 bytes long.
 Data: <P C&#133;9           > 50 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000239854459F0, 16 bytes long.
 Data: <( C&#133;9           > 28 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023985440480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000023985445630, 16 bytes long.
 Data: <  C&#133;9           > 00 8F 43 85 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023985438F00, 320 bytes long.
 Data: <0VD&#133;9     D&#133;9   > 30 56 44 85 39 02 00 00 80 04 44 85 39 02 00 00 
{274} normal block at 0x00000239854462B0, 16 bytes long.
 Data: <PfD&#133;9           > 50 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023985445B80, 16 bytes long.
 Data: <(fD&#133;9           > 28 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002398543FEE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000023985445950, 16 bytes long.
 Data: < fD&#133;9           > 00 66 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023985440600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000023985446030, 16 bytes long.
 Data: <HeD&#133;9           > 48 65 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023985445CC0, 16 bytes long.
 Data: < eD&#133;9           > 20 65 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239854457C0, 16 bytes long.
 Data: <&#248;dD&#133;9           > F8 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023985445AE0, 16 bytes long.
 Data: <&#208;dD&#133;9           > D0 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023985446300, 16 bytes long.
 Data: <&#168;dD&#133;9           > A8 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023985445FE0, 16 bytes long.
 Data: < dD&#133;9           > 80 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023985445900, 16 bytes long.
 Data: < MD&#133;9           > 20 4D 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023985444D20, 40 bytes long.
 Data: < YD&#133;9    M &#135;9   > 00 59 44 85 39 02 00 00 80 4D 19 87 39 02 00 00 
{260} normal block at 0x00000239854454F0, 16 bytes long.
 Data: <`dD&#133;9           > 60 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023985446170, 16 bytes long.
 Data: <8dD&#133;9           > 38 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002398543FE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000023985445B30, 16 bytes long.
 Data: < dD&#133;9           > 10 64 44 85 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023985446410, 992 bytes long.
 Data: <0[D&#133;9    &#254;C&#133;9   > 30 5B 44 85 39 02 00 00 80 FE 43 85 39 02 00 00 
{92} normal block at 0x000002398543FD60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002398543E9D0, 16 bytes long.
 Data: <p&#239;B&#133;9           > 70 EF 42 85 39 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002398542EF70, 40 bytes long.
 Data: <&#208;&#233;C&#133;9   `&#253;C&#133;9   > D0 E9 43 85 39 02 00 00 60 FD 43 85 39 02 00 00 
{69} normal block at 0x000002398543E8E0, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002398543EAC0, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002398543EDE0, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002398543F560, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002398543E980, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002398543E890, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002398543EF70, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002398543F290, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002398543EED0, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002398543EC50, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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