Task 38681142

Name test_249-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4071_0
Workunit 31622824
Created 27 Oct 2026, 2:50:59 UTC
Sent 27 Oct 2026, 2:51:02 UTC
Report deadline 1 Nov 2026, 2:51:02 UTC
Received 27 Oct 2026, 4:58:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 42 min 35 sec
CPU time 33 min 45 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 719.55 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:16:52 (6468): wrapper (7.9.26016): starting
00:16:52 (6468): 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
00:16:57 (6468): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:17:03 (6468): 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\4\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\4\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
00:57:28 (6468): C:/Windows/system32/cmd.exe exited; CPU time 2025.296875
00:57:44 (6468): 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: 29974361 bytes.
Dumping objects ->
{3835333} normal block at 0x000001833DD5D790, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x000001833DD5D5D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x000001833DD5DDB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x000001833DD5DC60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001833DD5D640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x000001833DD8B380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001833DDECD60, 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 0x000001833C157920, 8 bytes long.
 Data: <  &#179;=&#131;   > 00 00 B3 3D 83 01 00 00 
{3834581} normal block at 0x000001833DDECEC0, 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 0x000001833C157C90, 8 bytes long.
 Data: <&#160;*&#230;=&#131;   > A0 2A E6 3D 83 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001833C161200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001833C14B010, 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 0x000001833C163000, 16 bytes long.
 Data: <8E <&#131;           > 38 45 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001833C162740, 16 bytes long.
 Data: < E <&#131;           > 10 45 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001833C15D950, 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 0x000001833C162EC0, 16 bytes long.
 Data: <&#232;D <&#131;           > E8 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001833C1622E0, 16 bytes long.
 Data: <&#192;D <&#131;           > C0 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001833C162E70, 16 bytes long.
 Data: < D <&#131;           > 98 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001833C162C90, 16 bytes long.
 Data: <pD <&#131;           > 70 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001833C15C050, 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 0x000001833C162C40, 16 bytes long.
 Data: <&#216;  <&#131;           > D8 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001833C15DBF0, 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 0x000001833C162BF0, 16 bytes long.
 Data: <&#176;  <&#131;           > B0 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001833C1623D0, 16 bytes long.
 Data: <   <&#131;           > 88 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001833C1626F0, 16 bytes long.
 Data: <`  <&#131;           > 60 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001833C162240, 16 bytes long.
 Data: <8  <&#131;           > 38 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001833C162FB0, 16 bytes long.
 Data: <   <&#131;           > 10 20 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001833C162BA0, 16 bytes long.
 Data: <&#232;  <&#131;           > E8 1F 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001833C15D890, 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 0x000001833C162330, 16 bytes long.
 Data: <&#192;  <&#131;           > C0 1F 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001833C161FC0, 320 bytes long.
 Data: <0# <&#131;    &#216; <&#131;   > 30 23 16 3C 83 01 00 00 90 D8 15 3C 83 01 00 00 
{270} normal block at 0x000001833C163190, 16 bytes long.
 Data: <PD <&#131;           > 50 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001833C162B50, 16 bytes long.
 Data: <(D <&#131;           > 28 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001833C15E3D0, 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 0x000001833C162AB0, 16 bytes long.
 Data: < D <&#131;           > 00 44 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001833C15D8F0, 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 0x000001833C162290, 16 bytes long.
 Data: <HC <&#131;           > 48 43 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001833C1630F0, 16 bytes long.
 Data: < C <&#131;           > 20 43 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001833C162380, 16 bytes long.
 Data: <&#248;B <&#131;           > F8 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001833C162A60, 16 bytes long.
 Data: <&#208;B <&#131;           > D0 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001833C162880, 16 bytes long.
 Data: <&#168;B <&#131;           > A8 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001833C162A10, 16 bytes long.
 Data: < B <&#131;           > 80 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001833C1626A0, 16 bytes long.
 Data: < &#198; <&#131;           > 00 C6 15 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001833C15C600, 40 bytes long.
 Data: <&#160;& <&#131;    &#179;&#216;=&#131;   > A0 26 16 3C 83 01 00 00 80 B3 D8 3D 83 01 00 00 
{256} normal block at 0x000001833C163140, 16 bytes long.
 Data: <`B <&#131;           > 60 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001833C162830, 16 bytes long.
 Data: <8B <&#131;           > 38 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001833C15D650, 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 0x000001833C162F10, 16 bytes long.
 Data: < B <&#131;           > 10 42 16 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001833C164210, 992 bytes long.
 Data: < / <&#131;   P&#214; <&#131;   > 10 2F 16 3C 83 01 00 00 50 D6 15 3C 83 01 00 00 
{88} normal block at 0x000001833C15E430, 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 0x000001833C1580A0, 16 bytes long.
 Data: < &#197; <&#131;           > 90 C5 15 3C 83 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001833C15C590, 40 bytes long.
 Data: <&#160;  <&#131;   0&#228; <&#131;   > A0 80 15 3C 83 01 00 00 30 E4 15 3C 83 01 00 00 
{65} normal block at 0x000001833C157DD0, 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 0x000001833C157E70, 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 0x000001833C158050, 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 0x000001833C157380, 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 0x000001833C157470, 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 0x000001833C158140, 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 0x000001833C157740, 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 0x000001833C157D30, 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 0x000001833C1580F0, 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 0x000001833C157600, 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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