Task 38683701

Name test_653-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7713_0
Workunit 31625252
Created 27 Oct 2026, 12:55:31 UTC
Sent 27 Oct 2026, 12:55:34 UTC
Report deadline 1 Nov 2026, 12:55:34 UTC
Received 27 Oct 2026, 15:02:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 40 min 28 sec
CPU time 37 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.85 MB
Peak swap size 12.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:22:52 (44612): wrapper (7.9.26016): starting
09:22:52 (44612): 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
09:22:54 (44612): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:22:54 (44612): 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\16\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\16\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
10:02:32 (44612): C:/Windows/system32/cmd.exe exited; CPU time 2278.828125
10:02:32 (44612): 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: 30399003 bytes.
Dumping objects ->
{3835570} normal block at 0x000001C314AA1410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000001C314AA0D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001C314AA1170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000001C314AA1640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000001C314AA0AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000001C314B4AE20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000001C314BACAA0, 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) : {3835481} normal block at 0x000001C312E36BE0, 8 bytes long.
 Data: <  &#225; &#195;   > 00 00 E1 12 C3 01 00 00 
{3834692} normal block at 0x000001C314BAD180, 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 0x000001C312E36E10, 8 bytes long.
 Data: < x&#195; &#195;   > 00 78 C3 14 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C312E40E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C312E2ADE0, 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 0x000001C312E42A90, 16 bytes long.
 Data: <&#168;4&#228; &#195;           > A8 34 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C312E42770, 16 bytes long.
 Data: < 4&#228; &#195;           > 80 34 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C312E3D580, 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 0x000001C312E42450, 16 bytes long.
 Data: <X4&#228; &#195;           > 58 34 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C312E424A0, 16 bytes long.
 Data: <04&#228; &#195;           > 30 34 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C312E42590, 16 bytes long.
 Data: < 4&#228; &#195;           > 08 34 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C312E42B80, 16 bytes long.
 Data: <&#224;3&#228; &#195;           > E0 33 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C312E3AFF0, 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 0x000001C312E428B0, 16 bytes long.
 Data: <H&#186;&#226; &#195;           > 48 BA E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C312E3D6A0, 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 0x000001C312E429F0, 16 bytes long.
 Data: < &#186;&#226; &#195;           > 20 BA E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C312E42180, 16 bytes long.
 Data: <&#248;&#185;&#226; &#195;           > F8 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C312E42130, 16 bytes long.
 Data: <&#208;&#185;&#226; &#195;           > D0 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C312E42220, 16 bytes long.
 Data: <&#168;&#185;&#226; &#195;           > A8 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C312E426D0, 16 bytes long.
 Data: < &#185;&#226; &#195;           > 80 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C312E41F00, 16 bytes long.
 Data: <X&#185;&#226; &#195;           > 58 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C312E3DB80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000001C312E42680, 16 bytes long.
 Data: <0&#185;&#226; &#195;           > 30 B9 E2 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C312E2B930, 320 bytes long.
 Data: < &&#228; &#195;    &#219;&#227; &#195;   > 80 26 E4 12 C3 01 00 00 80 DB E3 12 C3 01 00 00 
{270} normal block at 0x000001C312E420E0, 16 bytes long.
 Data: <&#192;3&#228; &#195;           > C0 33 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C312E42270, 16 bytes long.
 Data: < 3&#228; &#195;           > 98 33 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C312E3D8E0, 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 0x000001C312E42D10, 16 bytes long.
 Data: <p3&#228; &#195;           > 70 33 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C312E3D820, 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 0x000001C312E42540, 16 bytes long.
 Data: <&#184;2&#228; &#195;           > B8 32 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C312E427C0, 16 bytes long.
 Data: < 2&#228; &#195;           > 90 32 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C312E42CC0, 16 bytes long.
 Data: <h2&#228; &#195;           > 68 32 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C312E42A40, 16 bytes long.
 Data: <@2&#228; &#195;           > 40 32 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C312E424F0, 16 bytes long.
 Data: < 2&#228; &#195;           > 18 32 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C312E42090, 16 bytes long.
 Data: <&#240;1&#228; &#195;           > F0 31 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C312E42360, 16 bytes long.
 Data: <p&#179;&#227; &#195;           > 70 B3 E3 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C312E3B370, 40 bytes long.
 Data: <`#&#228; &#195;    &#174;&#180; &#195;   > 60 23 E4 12 C3 01 00 00 20 AE B4 14 C3 01 00 00 
{256} normal block at 0x000001C312E41DC0, 16 bytes long.
 Data: <&#208;1&#228; &#195;           > D0 31 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C312E42B30, 16 bytes long.
 Data: <&#168;1&#228; &#195;           > A8 31 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C312E3D7C0, 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 0x000001C312E42630, 16 bytes long.
 Data: < 1&#228; &#195;           > 80 31 E4 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C312E43180, 992 bytes long.
 Data: <0&&#228; &#195;   &#192;&#215;&#227; &#195;   > 30 26 E4 12 C3 01 00 00 C0 D7 E3 12 C3 01 00 00 
{88} normal block at 0x000001C312E3D460, 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 0x000001C312E36820, 16 bytes long.
 Data: < &#178;&#227; &#195;           > 20 B2 E3 12 C3 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C312E3B220, 40 bytes long.
 Data: < h&#227; &#195;   `&#212;&#227; &#195;   > 20 68 E3 12 C3 01 00 00 60 D4 E3 12 C3 01 00 00 
{65} normal block at 0x000001C312E36DC0, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C312E36D70, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C312E36500, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C312E366E0, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C312E36B40, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C312E364B0, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C312E36AF0, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C312E36AA0, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C312E36550, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C312E36730, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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