Task 38674687

Name test_383-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2067_0
Workunit 31616714
Created 26 Oct 2026, 6:03:34 UTC
Sent 26 Oct 2026, 6:03:36 UTC
Report deadline 31 Oct 2026, 6:03:36 UTC
Received 26 Oct 2026, 6:31:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min
CPU time 19 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.94 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:11:18 (3956): wrapper (7.9.26016): starting
08:11:18 (3956): 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
08:11:19 (3956): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:11:19 (3956): 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\8\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\8\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
08:31:31 (3956): C:/Windows/system32/cmd.exe exited; CPU time 1175.640625
08:31:31 (3956): 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: 24884911 bytes.
Dumping objects ->
{3835275} normal block at 0x000001A3455E7450, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000001A343873DE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000001A343874240, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x000001A343874160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001A3438741D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000001A345728470, 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) : {3835187} normal block at 0x000001A34386DB40, 8 bytes long.
 Data: <  &#216;C&#163;   > 00 00 D8 43 A3 01 00 00 
{3833939} normal block at 0x000001A34386DE60, 8 bytes long.
 Data: <`&#138;&#137;C&#163;   > 60 8A 89 43 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001A34386E9C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A343865710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001A343875320, 16 bytes long.
 Data: <&#200;H&#135;C&#163;           > C8 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A343874EC0, 16 bytes long.
 Data: <&#160;H&#135;C&#163;           > A0 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A343872D40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001A3438752D0, 16 bytes long.
 Data: <xH&#135;C&#163;           > 78 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A343875780, 16 bytes long.
 Data: <PH&#135;C&#163;           > 50 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A343875500, 16 bytes long.
 Data: <(H&#135;C&#163;           > 28 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A343875280, 16 bytes long.
 Data: < H&#135;C&#163;           > 00 48 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A343873FA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001A343875140, 16 bytes long.
 Data: < D&#135;C&#163;           > 88 44 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A343872A40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001A343875910, 16 bytes long.
 Data: <`D&#135;C&#163;           > 60 44 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A3438750F0, 16 bytes long.
 Data: <8D&#135;C&#163;           > 38 44 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A343875000, 16 bytes long.
 Data: < D&#135;C&#163;           > 10 44 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A343874E20, 16 bytes long.
 Data: <&#232;C&#135;C&#163;           > E8 43 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A343874CE0, 16 bytes long.
 Data: <&#192;C&#135;C&#163;           > C0 43 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A343875370, 16 bytes long.
 Data: < C&#135;C&#163;           > 98 43 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A343872800, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001A343874C90, 16 bytes long.
 Data: <pC&#135;C&#163;           > 70 43 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A343874370, 320 bytes long.
 Data: < L&#135;C&#163;    (&#135;C&#163;   > 90 4C 87 43 A3 01 00 00 00 28 87 43 A3 01 00 00 
{265} normal block at 0x000001A343875690, 16 bytes long.
 Data: <&#224;G&#135;C&#163;           > E0 47 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A343875230, 16 bytes long.
 Data: <&#184;G&#135;C&#163;           > B8 47 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A343872980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001A343875190, 16 bytes long.
 Data: < G&#135;C&#163;           > 90 47 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A343872920, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001A343875870, 16 bytes long.
 Data: <&#216;F&#135;C&#163;           > D8 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A343874BA0, 16 bytes long.
 Data: <&#176;F&#135;C&#163;           > B0 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A343874D80, 16 bytes long.
 Data: < F&#135;C&#163;           > 88 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A343875820, 16 bytes long.
 Data: <`F&#135;C&#163;           > 60 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A343874B00, 16 bytes long.
 Data: <8F&#135;C&#163;           > 38 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A34386E630, 16 bytes long.
 Data: < F&#135;C&#163;           > 10 46 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A34386E5E0, 16 bytes long.
 Data: <0?&#135;C&#163;           > 30 3F 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A343873F30, 40 bytes long.
 Data: <&#224;&#229;&#134;C&#163;   p&#132;rE&#163;   > E0 E5 86 43 A3 01 00 00 70 84 72 45 A3 01 00 00 
{251} normal block at 0x000001A34386E590, 16 bytes long.
 Data: <&#240;E&#135;C&#163;           > F0 45 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A34386E4A0, 16 bytes long.
 Data: <&#200;E&#135;C&#163;           > C8 45 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001A343873460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001A34386E220, 16 bytes long.
 Data: <&#160;E&#135;C&#163;           > A0 45 87 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001A3438745A0, 992 bytes long.
 Data: < &#226;&#134;C&#163;   `4&#135;C&#163;   > 20 E2 86 43 A3 01 00 00 60 34 87 43 A3 01 00 00 
{83} normal block at 0x000001A34385F960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001A34386E3B0, 16 bytes long.
 Data: < &#239;&#133;C&#163;           > 20 EF 85 43 A3 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001A34385EF20, 40 bytes long.
 Data: <&#176;&#227;&#134;C&#163;   `&#249;&#133;C&#163;   > B0 E3 86 43 A3 01 00 00 60 F9 85 43 A3 01 00 00 
{60} normal block at 0x000001A34386DCD0, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A34386DE10, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A34386DDC0, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A34386E7C0, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A34386D960, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A34386DD70, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A34386E720, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001A34386E270, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001A34386DA50, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001A34386E2C0, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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