Task 38677486

Name test_947-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7699_0
Workunit 31619356
Created 26 Oct 2026, 14:29:25 UTC
Sent 26 Oct 2026, 14:29:29 UTC
Report deadline 31 Oct 2026, 14:29:29 UTC
Received 27 Oct 2026, 14:58:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 59 min 8 sec
CPU time 55 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.54 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
15:00:08 (15408): wrapper (7.9.26016): starting
15:00:08 (15408): 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
15:00:09 (15408): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:00:09 (15408): 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
15:57:47 (15408): C:/Windows/system32/cmd.exe exited; CPU time 3304.312500
15:57:47 (15408): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 57364213 bytes.
Dumping objects ->
{3835239} normal block at 0x00000278A2174590, 48 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 0x00000278A2174520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x00000278A2174440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x00000278A21743D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000278A2174360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x00000278A3F87DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000278A21CC840, 144 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) : {3835150} normal block at 0x00000278A216EA30, 8 bytes long.
 Data: <  f&#162;x   > 00 00 66 A2 78 02 00 00 
{3834550} normal block at 0x00000278A21CC430, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000278A216E210, 8 bytes long.
 Data: <&#192;  &#162;x   > C0 8F 19 A2 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000278A2170280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000278A21653D0, 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 0x00000278A21753F0, 16 bytes long.
 Data: < \ &#162;x           > 88 5C 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000278A2174A40, 16 bytes long.
 Data: <`\ &#162;x           > 60 5C 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000278A216ECF0, 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 0x00000278A2174D60, 16 bytes long.
 Data: <8\ &#162;x           > 38 5C 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000278A2175580, 16 bytes long.
 Data: < \ &#162;x           > 10 5C 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000278A2174C70, 16 bytes long.
 Data: <&#232;[ &#162;x           > E8 5B 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000278A21753A0, 16 bytes long.
 Data: <&#192;[ &#162;x           > C0 5B 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000278A2174670, 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 0x00000278A21749F0, 16 bytes long.
 Data: <x&#134; &#162;x           > 78 86 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000278A216F1D0, 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 0x00000278A2175620, 16 bytes long.
 Data: <P&#134; &#162;x           > 50 86 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000278A2174B30, 16 bytes long.
 Data: <(&#134; &#162;x           > 28 86 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000278A2175850, 16 bytes long.
 Data: < &#134; &#162;x           > 00 86 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000278A21757B0, 16 bytes long.
 Data: <&#216;&#133; &#162;x           > D8 85 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000278A21752B0, 16 bytes long.
 Data: <&#176;&#133; &#162;x           > B0 85 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000278A21749A0, 16 bytes long.
 Data: < &#133; &#162;x           > 88 85 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000278A216EC90, 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 0x00000278A2174D10, 16 bytes long.
 Data: <`&#133; &#162;x           > 60 85 16 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000278A2168560, 320 bytes long.
 Data: < M &#162;x    &#236; &#162;x   > 10 4D 17 A2 78 02 00 00 90 EC 16 A2 78 02 00 00 
{273} normal block at 0x00000278A21754E0, 16 bytes long.
 Data: <&#160;[ &#162;x           > A0 5B 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000278A2174BD0, 16 bytes long.
 Data: <x[ &#162;x           > 78 5B 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000278A216F650, 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 0x00000278A2175710, 16 bytes long.
 Data: <P[ &#162;x           > 50 5B 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000278A216EC30, 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 0x00000278A2174EA0, 16 bytes long.
 Data: < Z &#162;x           > 98 5A 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000278A21755D0, 16 bytes long.
 Data: <pZ &#162;x           > 70 5A 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000278A2174B80, 16 bytes long.
 Data: <HZ &#162;x           > 48 5A 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000278A2175260, 16 bytes long.
 Data: < Z &#162;x           > 20 5A 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000278A2175760, 16 bytes long.
 Data: <&#248;Y &#162;x           > F8 59 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000278A21758A0, 16 bytes long.
 Data: <&#208;Y &#162;x           > D0 59 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000278A2175350, 16 bytes long.
 Data: <&#224;? &#162;x           > E0 3F 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000278A2173FE0, 40 bytes long.
 Data: <PS &#162;x   &#192;}&#248;&#163;x   > 50 53 17 A2 78 02 00 00 C0 7D F8 A3 78 02 00 00 
{259} normal block at 0x00000278A2174CC0, 16 bytes long.
 Data: <&#176;Y &#162;x           > B0 59 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000278A2175300, 16 bytes long.
 Data: < Y &#162;x           > 88 59 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000278A216F590, 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 0x00000278A2174A90, 16 bytes long.
 Data: <`Y &#162;x           > 60 59 17 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000278A2175960, 992 bytes long.
 Data: < J &#162;x    &#245; &#162;x   > 90 4A 17 A2 78 02 00 00 90 F5 16 A2 78 02 00 00 
{91} normal block at 0x00000278A216F9B0, 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 0x00000278A216E8A0, 16 bytes long.
 Data: <&#240;&#237; &#162;x           > F0 ED 15 A2 78 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000278A215EDF0, 40 bytes long.
 Data: <&#160;&#232; &#162;x   &#176;&#249; &#162;x   > A0 E8 16 A2 78 02 00 00 B0 F9 16 A2 78 02 00 00 
{68} normal block at 0x00000278A216E3F0, 16 bytes long.
 Data: < &#234;&#165;&#145;&#246;           > 80 EA A5 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000278A216E990, 16 bytes long.
 Data: <@&#233;&#165;&#145;&#246;           > 40 E9 A5 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000278A216EAD0, 16 bytes long.
 Data: <&#248;W&#162;&#145;&#246;           > F8 57 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000278A216E0D0, 16 bytes long.
 Data: <&#216;W&#162;&#145;&#246;           > D8 57 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000278A216E580, 16 bytes long.
 Data: <P &#162;&#145;&#246;           > 50 04 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000278A216DD60, 16 bytes long.
 Data: <0 &#162;&#145;&#246;           > 30 04 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000278A216E3A0, 16 bytes long.
 Data: <&#224; &#162;&#145;&#246;           > E0 02 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000278A216DDB0, 16 bytes long.
 Data: <  &#162;&#145;&#246;           > 10 04 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000278A216DD10, 16 bytes long.
 Data: <p &#162;&#145;&#246;           > 70 04 A2 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000278A216E940, 16 bytes long.
 Data: < &#192;&#160;&#145;&#246;           > 18 C0 A0 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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