Task 38675732

Name test_352-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2119_1
Workunit 31617656
Created 26 Oct 2026, 9:09:03 UTC
Sent 26 Oct 2026, 9:09:07 UTC
Report deadline 31 Oct 2026, 9:09:07 UTC
Received 26 Oct 2026, 9:54:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 43 min 43 sec
CPU time 39 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.54 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:10:38 (9624): wrapper (7.9.26016): starting
03:10:38 (9624): 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
03:10:39 (9624): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:10:39 (9624): 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\12\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\12\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
03:53:42 (9624): C:/Windows/system32/cmd.exe exited; CPU time 2381.593750
03:53:42 (9624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 55468529 bytes.
Dumping objects ->
{3835232} normal block at 0x000002EB96B0CF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000002EB94EF4C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002EB94EF4BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x000002EB94EF4B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000002EB94EF4AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x000002EB96B55DF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000002EB94F59DE0, 140 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) : {3835143} normal block at 0x000002EB94EEE960, 8 bytes long.
 Data: <  H&#149;&#235;   > 00 00 48 95 EB 02 00 00 
{3834543} normal block at 0x000002EB94F59D10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002EB94EEF540, 8 bytes long.
 Data: <&#176;&#227;&#161;&#150;&#235;   > B0 E3 A1 96 EB 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002EB94EF0C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002EB94EE6580, 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 0x000002EB94EF62C0, 16 bytes long.
 Data: < g&#239;&#148;&#235;           > 98 67 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EB94EF5FA0, 16 bytes long.
 Data: <pg&#239;&#148;&#235;           > 70 67 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EB94EF0870, 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 0x000002EB94EF5F50, 16 bytes long.
 Data: <Hg&#239;&#148;&#235;           > 48 67 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EB94EF5F00, 16 bytes long.
 Data: < g&#239;&#148;&#235;           > 20 67 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EB94EF5A00, 16 bytes long.
 Data: <&#248;f&#239;&#148;&#235;           > F8 66 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002EB94EF5DC0, 16 bytes long.
 Data: <&#208;f&#239;&#148;&#235;           > D0 66 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EB94EF4F30, 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 0x000002EB94EF5D70, 16 bytes long.
 Data: <h&#231;&#238;&#148;&#235;           > 68 E7 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EB94EEFC10, 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 0x000002EB94EF5EB0, 16 bytes long.
 Data: <@&#231;&#238;&#148;&#235;           > 40 E7 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EB94EF5D20, 16 bytes long.
 Data: < &#231;&#238;&#148;&#235;           > 18 E7 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EB94EF58C0, 16 bytes long.
 Data: <&#240;&#230;&#238;&#148;&#235;           > F0 E6 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EB94EF55F0, 16 bytes long.
 Data: <&#200;&#230;&#238;&#148;&#235;           > C8 E6 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EB94EF5E60, 16 bytes long.
 Data: <&#160;&#230;&#238;&#148;&#235;           > A0 E6 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EB94EF5870, 16 bytes long.
 Data: <x&#230;&#238;&#148;&#235;           > 78 E6 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EB94EEFCD0, 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 0x000002EB94EF59B0, 16 bytes long.
 Data: <P&#230;&#238;&#148;&#235;           > 50 E6 EE 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EB94EEE650, 320 bytes long.
 Data: <&#176;Y&#239;&#148;&#235;   &#208;&#252;&#238;&#148;&#235;   > B0 59 EF 94 EB 02 00 00 D0 FC EE 94 EB 02 00 00 
{276} normal block at 0x000002EB94EF56E0, 16 bytes long.
 Data: <&#176;f&#239;&#148;&#235;           > B0 66 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EB94EF5960, 16 bytes long.
 Data: < f&#239;&#148;&#235;           > 88 66 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EB94EEFD30, 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 0x000002EB94EF5CD0, 16 bytes long.
 Data: <`f&#239;&#148;&#235;           > 60 66 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EB94EEFA30, 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 0x000002EB94EF5C30, 16 bytes long.
 Data: <&#168;e&#239;&#148;&#235;           > A8 65 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EB94EF61D0, 16 bytes long.
 Data: < e&#239;&#148;&#235;           > 80 65 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EB94EF5BE0, 16 bytes long.
 Data: <Xe&#239;&#148;&#235;           > 58 65 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EB94EF5C80, 16 bytes long.
 Data: <0e&#239;&#148;&#235;           > 30 65 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EB94EF5820, 16 bytes long.
 Data: < e&#239;&#148;&#235;           > 08 65 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EB94EF5B90, 16 bytes long.
 Data: <&#224;d&#239;&#148;&#235;           > E0 64 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EB94EF5B40, 16 bytes long.
 Data: < I&#239;&#148;&#235;           > 10 49 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EB94EF4910, 40 bytes long.
 Data: <@[&#239;&#148;&#235;   &#240;]&#181;&#150;&#235;   > 40 5B EF 94 EB 02 00 00 F0 5D B5 96 EB 02 00 00 
{262} normal block at 0x000002EB94EF5E10, 16 bytes long.
 Data: <&#192;d&#239;&#148;&#235;           > C0 64 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EB94EF5780, 16 bytes long.
 Data: < d&#239;&#148;&#235;           > 98 64 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002EB94EF0090, 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 0x000002EB94EF57D0, 16 bytes long.
 Data: <pd&#239;&#148;&#235;           > 70 64 EF 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002EB94EF6470, 992 bytes long.
 Data: <&#208;W&#239;&#148;&#235;     &#239;&#148;&#235;   > D0 57 EF 94 EB 02 00 00 90 00 EF 94 EB 02 00 00 
{94} normal block at 0x000002EB94EEFA90, 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 0x000002EB94EEED70, 16 bytes long.
 Data: <&#192;&#230;&#237;&#148;&#235;           > C0 E6 ED 94 EB 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002EB94EDE6C0, 40 bytes long.
 Data: <p&#237;&#238;&#148;&#235;    &#250;&#238;&#148;&#235;   > 70 ED EE 94 EB 02 00 00 90 FA EE 94 EB 02 00 00 
{71} normal block at 0x000002EB94EEEAF0, 16 bytes long.
 Data: < &#234;&#159;&#172;&#247;           > 80 EA 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EB94EEEFA0, 16 bytes long.
 Data: <@&#233;&#159;&#172;&#247;           > 40 E9 9F AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EB94EEF360, 16 bytes long.
 Data: <&#248;W&#156;&#172;&#247;           > F8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EB94EEF590, 16 bytes long.
 Data: <&#216;W&#156;&#172;&#247;           > D8 57 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EB94EEF720, 16 bytes long.
 Data: <P &#156;&#172;&#247;           > 50 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EB94EEEC80, 16 bytes long.
 Data: <0 &#156;&#172;&#247;           > 30 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EB94EEF310, 16 bytes long.
 Data: <&#224; &#156;&#172;&#247;           > E0 02 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EB94EEED20, 16 bytes long.
 Data: <  &#156;&#172;&#247;           > 10 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002EB94EEEAA0, 16 bytes long.
 Data: <p &#156;&#172;&#247;           > 70 04 9C AC F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002EB94EEF450, 16 bytes long.
 Data: < &#192;&#154;&#172;&#247;           > 18 C0 9A AC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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