Task 38684614

Name test_675-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6472_0
Workunit 31626122
Created 27 Oct 2026, 17:10:49 UTC
Sent 27 Oct 2026, 17:10:55 UTC
Report deadline 1 Nov 2026, 17:10:55 UTC
Received 27 Oct 2026, 18:34:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 41 min 1 sec
CPU time 37 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.46 MB
Peak swap size 5.37 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:53:39 (18860): wrapper (7.9.26016): starting
18:53:39 (18860): 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
18:53:40 (18860): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:40 (18860): 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\7\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\7\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
19:33:38 (18860): C:/Windows/system32/cmd.exe exited; CPU time 2249.906250
19:33:38 (18860): 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: 33404281 bytes.
Dumping objects ->
{3835282} normal block at 0x0000024A172CD530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x0000024A172CDED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000024A156C4D20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000024A156C4C40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000024A156C4EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x0000024A17317130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000024A1732F470, 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) : {3835193} normal block at 0x0000024A156BECE0, 8 bytes long.
 Data: <  h J   > 00 00 68 15 4A 02 00 00 
{3834569} normal block at 0x0000024A1732F260, 102 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 0x0000024A156BF820, 8 bytes long.
 Data: < >7 J   > 80 3E 37 17 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024A156BDAA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024A156B5ED0, 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 0x0000024A156C57D0, 16 bytes long.
 Data: <&#184;jl J           > B8 6A 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024A156C6630, 16 bytes long.
 Data: < jl J           > 90 6A 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024A156BFC90, 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 0x0000024A156C5BE0, 16 bytes long.
 Data: <hjl J           > 68 6A 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024A156C5FA0, 16 bytes long.
 Data: <@jl J           > 40 6A 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024A156C6680, 16 bytes long.
 Data: < jl J           > 18 6A 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024A156C5E60, 16 bytes long.
 Data: <&#240;il J           > F0 69 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024A156C4A10, 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 0x0000024A156C6720, 16 bytes long.
 Data: <H&#244;j J           > 48 F4 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024A156BFD50, 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 0x0000024A156C5820, 16 bytes long.
 Data: < &#244;j J           > 20 F4 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024A156C64F0, 16 bytes long.
 Data: <&#248;&#243;j J           > F8 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024A156C5AF0, 16 bytes long.
 Data: <&#208;&#243;j J           > D0 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024A156C6270, 16 bytes long.
 Data: <&#168;&#243;j J           > A8 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024A156C5AA0, 16 bytes long.
 Data: < &#243;j J           > 80 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024A156C6450, 16 bytes long.
 Data: <X&#243;j J           > 58 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024A156C06B0, 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 0x0000024A156C5B90, 16 bytes long.
 Data: <0&#243;j J           > 30 F3 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024A156AF330, 320 bytes long.
 Data: < [l J   &#176; l J   > 90 5B 6C 15 4A 02 00 00 B0 06 6C 15 4A 02 00 00 
{276} normal block at 0x0000024A156C5A50, 16 bytes long.
 Data: <&#208;il J           > D0 69 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024A156C5DC0, 16 bytes long.
 Data: <&#168;il J           > A8 69 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024A156C0950, 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 0x0000024A156C5CD0, 16 bytes long.
 Data: < il J           > 80 69 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024A156C0590, 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 0x0000024A156C5F50, 16 bytes long.
 Data: <&#200;hl J           > C8 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024A156C66D0, 16 bytes long.
 Data: <&#160;hl J           > A0 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024A156C5A00, 16 bytes long.
 Data: <xhl J           > 78 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024A156C5FF0, 16 bytes long.
 Data: <Phl J           > 50 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024A156C59B0, 16 bytes long.
 Data: <(hl J           > 28 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024A156C5C80, 16 bytes long.
 Data: < hl J           > 00 68 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024A156C5960, 16 bytes long.
 Data: <POl J           > 50 4F 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024A156C4F50, 40 bytes long.
 Data: <`Yl J   0q1 J   > 60 59 6C 15 4A 02 00 00 30 71 31 17 4A 02 00 00 
{262} normal block at 0x0000024A156C60E0, 16 bytes long.
 Data: <&#224;gl J           > E0 67 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024A156C5B40, 16 bytes long.
 Data: <&#184;gl J           > B8 67 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024A156C0230, 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 0x0000024A156C6400, 16 bytes long.
 Data: < gl J           > 90 67 6C 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024A156C6790, 992 bytes long.
 Data: < dl J   0 l J   > 00 64 6C 15 4A 02 00 00 30 02 6C 15 4A 02 00 00 
{94} normal block at 0x0000024A156BFE70, 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 0x0000024A156BF280, 16 bytes long.
 Data: <@&#212;j J           > 40 D4 6A 15 4A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024A156AD440, 40 bytes long.
 Data: < &#242;k J   p&#254;k J   > 80 F2 6B 15 4A 02 00 00 70 FE 6B 15 4A 02 00 00 
{71} normal block at 0x0000024A156BF780, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024A156BF690, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024A156BEC40, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024A156BEC90, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024A156BF000, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024A156BF7D0, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024A156BF5F0, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024A156BF2D0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024A156BEBF0, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024A156BEDD0, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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