Task 38679689

Name test_544-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2259_0
Workunit 31621453
Created 26 Oct 2026, 21:24:10 UTC
Sent 26 Oct 2026, 21:24:14 UTC
Report deadline 31 Oct 2026, 21:24:14 UTC
Received 27 Oct 2026, 0:05:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 1 hours 55 min 53 sec
CPU time 1 hours 15 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.32 MB
Peak swap size 9.22 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:09:22 (22212): wrapper (7.9.26016): starting
07:09:22 (22212): 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
07:09:29 (22212): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:09:29 (22212): 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
09:02:25 (22212): C:/Windows/system32/cmd.exe exited; CPU time 4513.937500
09:02:25 (22212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 91673439 bytes.
Dumping objects ->
{3835555} normal block at 0x000001EB83CE4A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001EB83CE5000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001EB83CE4F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001EB83CE4F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001EB83CE4EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001EB85E55140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835467} normal block at 0x000001EB83CDF140, 8 bytes long.
 Data: <  &#203;     > 00 00 CB 83 EB 01 00 00 
{3834045} normal block at 0x000001EB83CDF050, 8 bytes long.
 Data: <  &#221;     > 10 ED DD 85 EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EB83CE1390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB83CD6750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EB83CE58B0, 16 bytes long.
 Data: <hd&#206;             > 68 64 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB83CE6030, 16 bytes long.
 Data: <@d&#206;             > 40 64 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EB83CDF800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EB83CE5540, 16 bytes long.
 Data: < d&#206;             > 18 64 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB83CE5630, 16 bytes long.
 Data: < c&#206;             > F0 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB83CE5A90, 16 bytes long.
 Data: <&#200;c&#206;             > C8 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB83CE54F0, 16 bytes long.
 Data: < c&#206;             > A0 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EB83CE4E40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EB83CE59F0, 16 bytes long.
 Data: <h &#205;             > 68 8B CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB83CDFE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EB83CE5DB0, 16 bytes long.
 Data: <@ &#205;             > 40 8B CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EB83CE5E00, 16 bytes long.
 Data: <  &#205;             > 18 8B CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB83CE5860, 16 bytes long.
 Data: <  &#205;             > F0 8A CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB83CE5220, 16 bytes long.
 Data: <&#200; &#205;             > C8 8A CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EB83CE5770, 16 bytes long.
 Data: <  &#205;             > A0 8A CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB83CE54A0, 16 bytes long.
 Data: <x &#205;             > 78 8A CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EB83CDFC80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001EB83CE5B80, 16 bytes long.
 Data: <P &#205;             > 50 8A CD 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EB83CD8A50, 320 bytes long.
 Data: < [&#206;       &#205;     > 80 5B CE 83 EB 01 00 00 80 FC CD 83 EB 01 00 00 
{273} normal block at 0x000001EB83CE5B30, 16 bytes long.
 Data: < c&#206;             > 80 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB83CE52C0, 16 bytes long.
 Data: <Xc&#206;             > 58 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB83CE0460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EB83CE5D10, 16 bytes long.
 Data: <0c&#206;             > 30 63 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB83CE03A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EB83CE56D0, 16 bytes long.
 Data: <xb&#206;             > 78 62 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB83CE5270, 16 bytes long.
 Data: <Pb&#206;             > 50 62 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB83CE5810, 16 bytes long.
 Data: <(b&#206;             > 28 62 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB83CE5FE0, 16 bytes long.
 Data: < b&#206;             > 00 62 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EB83CE53B0, 16 bytes long.
 Data: <&#216;a&#206;             > D8 61 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB83CE5450, 16 bytes long.
 Data: <&#176;a&#206;             > B0 61 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EB83CE5A40, 16 bytes long.
 Data: <&#192;J&#206;             > C0 4A CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EB83CE4AC0, 40 bytes long.
 Data: <@Z&#206;     @Q      > 40 5A CE 83 EB 01 00 00 40 51 E5 85 EB 01 00 00 
{259} normal block at 0x000001EB83CE5BD0, 16 bytes long.
 Data: < a&#206;             > 90 61 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EB83CE59A0, 16 bytes long.
 Data: <ha&#206;             > 68 61 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EB83CDFDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EB83CE5D60, 16 bytes long.
 Data: <@a&#206;             > 40 61 CE 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EB83CE6140, 992 bytes long.
 Data: <`]&#206;       &#205;     > 60 5D CE 83 EB 01 00 00 A0 FD CD 83 EB 01 00 00 
{91} normal block at 0x000001EB83CE02E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EB83CDE920, 16 bytes long.
 Data: <&#192; &#204;             > C0 E1 CC 83 EB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EB83CCE1C0, 40 bytes long.
 Data: <  &#205;       &#206;     > 20 E9 CD 83 EB 01 00 00 E0 02 CE 83 EB 01 00 00 
{66} normal block at 0x000001EB83CDF000, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB83CDF0A0, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EB83CDE740, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EB83CDEFB0, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EB83CDE650, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EB83CDF0F0, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EB83CDEB00, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EB83CDE6A0, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EB83CDF500, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EB83CDE880, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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