Task 38687577

Name test_826-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5332_0
Workunit 31628962
Created 28 Oct 2026, 8:34:55 UTC
Sent 28 Oct 2026, 8:34:56 UTC
Report deadline 2 Nov 2026, 8:34:56 UTC
Received 28 Oct 2026, 10:38:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 57 min 24 sec
CPU time 40 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.83 MB
Peak swap size 5.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:42:05 (5864): wrapper (7.9.26016): starting
05:42:05 (5864): 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
05:42:07 (5864): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:42:07 (5864): 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\Boinc2\slots\1\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\Boinc2\slots\1\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
06:38:07 (5864): C:/Windows/system32/cmd.exe exited; CPU time 2415.328125
06:38:07 (5864): 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: 40737381 bytes.
Dumping objects ->
{3835332} normal block at 0x0000027339A79440, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x0000027339A792F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x0000027339A78FE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x0000027339A79050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x0000027339A78B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x0000027339A1BC20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000027339A7D0D0, 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) : {3835243} normal block at 0x0000027337F66480, 8 bytes long.
 Data: <  &#244;7s   > 00 00 F4 37 73 02 00 00 
{3834581} normal block at 0x0000027339A7D650, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000027337F665C0, 8 bytes long.
 Data: < &#164;&#167;9s   > 90 A4 A7 39 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000027337F6FFE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027337F55D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000027337F717F0, 16 bytes long.
 Data: <h7&#247;7s           > 68 37 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027337F712A0, 16 bytes long.
 Data: <@7&#247;7s           > 40 37 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027337F6D3E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000027337F71930, 16 bytes long.
 Data: < 7&#247;7s           > 18 37 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027337F71200, 16 bytes long.
 Data: <&#240;6&#247;7s           > F0 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027337F71FC0, 16 bytes long.
 Data: <&#200;6&#247;7s           > C8 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027337F71750, 16 bytes long.
 Data: <&#160;6&#247;7s           > A0 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027337F6B5C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000027337F71F70, 16 bytes long.
 Data: <&#232;\&#245;7s           > E8 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027337F6D560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000027337F718E0, 16 bytes long.
 Data: <&#192;\&#245;7s           > C0 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027337F71ED0, 16 bytes long.
 Data: < \&#245;7s           > 98 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027337F71570, 16 bytes long.
 Data: <p\&#245;7s           > 70 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027337F713E0, 16 bytes long.
 Data: <H\&#245;7s           > 48 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027337F71F20, 16 bytes long.
 Data: < \&#245;7s           > 20 5C F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027337F71E80, 16 bytes long.
 Data: <&#248;[&#245;7s           > F8 5B F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027337F6D5C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000027337F71E30, 16 bytes long.
 Data: <&#208;[&#245;7s           > D0 5B F5 37 73 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027337F55BD0, 320 bytes long.
 Data: <0 &#247;7s   &#192;&#213;&#246;7s   > 30 1E F7 37 73 02 00 00 C0 D5 F6 37 73 02 00 00 
{270} normal block at 0x0000027337F71D40, 16 bytes long.
 Data: < 6&#247;7s           > 80 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027337F711B0, 16 bytes long.
 Data: <X6&#247;7s           > 58 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027337F6D500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000027337F71CF0, 16 bytes long.
 Data: <06&#247;7s           > 30 36 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027337F6C7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000027337F71CA0, 16 bytes long.
 Data: <x5&#247;7s           > 78 35 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027337F71C50, 16 bytes long.
 Data: <P5&#247;7s           > 50 35 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027337F71DE0, 16 bytes long.
 Data: <(5&#247;7s           > 28 35 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027337F71AC0, 16 bytes long.
 Data: < 5&#247;7s           > 00 35 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027337F71160, 16 bytes long.
 Data: <&#216;4&#247;7s           > D8 34 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027337F71A70, 16 bytes long.
 Data: <&#176;4&#247;7s           > B0 34 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027337F71BB0, 16 bytes long.
 Data: < &#179;&#246;7s           > 90 B3 F6 37 73 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027337F6B390, 40 bytes long.
 Data: <&#176; &#247;7s    &#188;&#161;9s   > B0 1B F7 37 73 02 00 00 20 BC A1 39 73 02 00 00 
{256} normal block at 0x0000027337F719D0, 16 bytes long.
 Data: < 4&#247;7s           > 90 34 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027337F710C0, 16 bytes long.
 Data: <h4&#247;7s           > 68 34 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027337F6D620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000027337F71520, 16 bytes long.
 Data: <@4&#247;7s           > 40 34 F7 37 73 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027337F73440, 992 bytes long.
 Data: <  &#247;7s    &#214;&#246;7s   > 20 15 F7 37 73 02 00 00 20 D6 F6 37 73 02 00 00 
{88} normal block at 0x0000027337F6CD20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000027337F67330, 16 bytes long.
 Data: <&#208;&#177;&#246;7s           > D0 B1 F6 37 73 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000027337F6B1D0, 40 bytes long.
 Data: <0s&#246;7s    &#205;&#246;7s   > 30 73 F6 37 73 02 00 00 20 CD F6 37 73 02 00 00 
{65} normal block at 0x0000027337F67290, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027337F66BB0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027337F66430, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027337F66C00, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027337F66B60, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027337F67240, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027337F668E0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027337F66E30, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027337F66F20, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027337F670B0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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