Task 38649793

Name test_588-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND9229_0
Workunit 31594369
Created 23 Oct 2026, 22:06:02 UTC
Sent 23 Oct 2026, 22:19:50 UTC
Report deadline 28 Oct 2026, 22:19:50 UTC
Received 24 Oct 2026, 0:18:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636059
Run time 1 hours 14 min 17 sec
CPU time 22 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.52 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.7</core_client_version>
<![CDATA[
<stderr_txt>
19:01:04 (27844): wrapper (7.9.26016): starting
19:01:04 (27844): 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
19:01:06 (27844): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:01:06 (27844): 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
20:13:10 (27844): C:/Windows/system32/cmd.exe exited; CPU time 1364.906250
20:13:10 (27844): called boinc_finish(0)
0 bytes in 0 Free Blocks.
524 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: 50092037 bytes.
Dumping objects ->
{3835646} normal block at 0x000002DFA90FB840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x000002DFA90FB370, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835624} normal block at 0x000002DFA90FC090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835613} normal block at 0x000002DFA90FBF40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835602} normal block at 0x000002DFA90FBA70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835571} normal block at 0x000002DFAAD6A7A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835560} normal block at 0x000002DFA9123160, 134 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) : {3835557} normal block at 0x000002DFA90C8B10, 8 bytes long.
 Data: <  &#164;&#170;&#223;   > 00 00 A4 AA DF 02 00 00 
{3834755} normal block at 0x000002DFA91234A0, 134 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002DFA90C8A20, 8 bytes long.
 Data: < r&#223;&#170;&#223;   > 20 72 DF AA DF 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002DFA90C4B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002DFA90C2880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002DFA90D86B0, 16 bytes long.
 Data: <&#200;  &#169;&#223;           > C8 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002DFA90D8610, 16 bytes long.
 Data: <&#160;  &#169;&#223;           > A0 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002DFA90D1B80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002DFA90D7D00, 16 bytes long.
 Data: <x  &#169;&#223;           > 78 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002DFA90D79E0, 16 bytes long.
 Data: <P  &#169;&#223;           > 50 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002DFA90D8930, 16 bytes long.
 Data: <(  &#169;&#223;           > 28 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002DFA90D8110, 16 bytes long.
 Data: <   &#169;&#223;           > 00 90 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002DFA90D3FC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002DFA90D8890, 16 bytes long.
 Data: <hF &#169;&#223;           > 68 46 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DFA90D1880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002DFA90D80C0, 16 bytes long.
 Data: <@F &#169;&#223;           > 40 46 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DFA90D85C0, 16 bytes long.
 Data: < F &#169;&#223;           > 18 46 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002DFA90D8570, 16 bytes long.
 Data: <&#240;E &#169;&#223;           > F0 45 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DFA90D84D0, 16 bytes long.
 Data: <&#200;E &#169;&#223;           > C8 45 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DFA90D7E90, 16 bytes long.
 Data: <&#160;E &#169;&#223;           > A0 45 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002DFA90D8070, 16 bytes long.
 Data: <xE &#169;&#223;           > 78 45 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DFA90D26C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002DFA90D7BC0, 16 bytes long.
 Data: <PE &#169;&#223;           > 50 45 0C A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DFA90C4550, 320 bytes long.
 Data: <&#192;{ &#169;&#223;   &#192;& &#169;&#223;   > C0 7B 0D A9 DF 02 00 00 C0 26 0D A9 DF 02 00 00 
{281} normal block at 0x000002DFA90D8480, 16 bytes long.
 Data: <&#224;  &#169;&#223;           > E0 8F 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DFA90D8340, 16 bytes long.
 Data: <&#184;  &#169;&#223;           > B8 8F 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DFA90D2360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002DFA90D8020, 16 bytes long.
 Data: <   &#169;&#223;           > 90 8F 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002DFA90D24E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002DFA90D7DA0, 16 bytes long.
 Data: <&#216;&#142; &#169;&#223;           > D8 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DFA90D88E0, 16 bytes long.
 Data: <&#176;&#142; &#169;&#223;           > B0 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DFA90D8160, 16 bytes long.
 Data: < &#142; &#169;&#223;           > 88 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DFA90D7F30, 16 bytes long.
 Data: <`&#142; &#169;&#223;           > 60 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DFA90D7D50, 16 bytes long.
 Data: <8&#142; &#169;&#223;           > 38 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002DFA90D8840, 16 bytes long.
 Data: < &#142; &#169;&#223;           > 10 8E 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DFA90D7FD0, 16 bytes long.
 Data: < = &#169;&#223;           > 90 3D 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002DFA90D3D90, 40 bytes long.
 Data: <&#208;  &#169;&#223;   &#160;&#167;&#214;&#170;&#223;   > D0 7F 0D A9 DF 02 00 00 A0 A7 D6 AA DF 02 00 00 
{267} normal block at 0x000002DFA90D82F0, 16 bytes long.
 Data: <&#240;  &#169;&#223;           > F0 8D 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DFA90D81B0, 16 bytes long.
 Data: <&#200;  &#169;&#223;           > C8 8D 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002DFA90D1CA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002DFA90D87A0, 16 bytes long.
 Data: <&#160;  &#169;&#223;           > A0 8D 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002DFA90D8DA0, 992 bytes long.
 Data: <&#160;&#135; &#169;&#223;   &#160;  &#169;&#223;   > A0 87 0D A9 DF 02 00 00 A0 1C 0D A9 DF 02 00 00 
{99} normal block at 0x000002DFA90D1C40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002DFA90C8DE0, 16 bytes long.
 Data: < D &#169;&#223;           > 90 44 0D A9 DF 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002DFA90D4490, 40 bytes long.
 Data: <&#224;  &#169;&#223;   @  &#169;&#223;   > E0 8D 0C A9 DF 02 00 00 40 1C 0D A9 DF 02 00 00 
{76} normal block at 0x000002DFA90C96F0, 16 bytes long.
 Data: < &#234;&#230;9&#247;           > 80 EA E6 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002DFA90C8D90, 16 bytes long.
 Data: <@&#233;&#230;9&#247;           > 40 E9 E6 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002DFA90C96A0, 16 bytes long.
 Data: <&#248;W&#227;9&#247;           > F8 57 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002DFA90C9330, 16 bytes long.
 Data: <&#216;W&#227;9&#247;           > D8 57 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002DFA90C9920, 16 bytes long.
 Data: <P &#227;9&#247;           > 50 04 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002DFA90C9560, 16 bytes long.
 Data: <0 &#227;9&#247;           > 30 04 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002DFA90C8A70, 16 bytes long.
 Data: <&#224; &#227;9&#247;           > E0 02 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002DFA90C98D0, 16 bytes long.
 Data: <  &#227;9&#247;           > 10 04 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002DFA90C8B60, 16 bytes long.
 Data: <p &#227;9&#247;           > 70 04 E3 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002DFA90C90B0, 16 bytes long.
 Data: < &#192;&#225;9&#247;           > 18 C0 E1 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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