Task 38666495

Name test_355-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8961_0
Workunit 31609386
Created 25 Oct 2026, 3:29:56 UTC
Sent 25 Oct 2026, 3:50:14 UTC
Report deadline 30 Oct 2026, 3:50:14 UTC
Received 25 Oct 2026, 4:51:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 40 min 14 sec
CPU time 38 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.99 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:11:13 (6920): wrapper (7.9.26016): starting
23:11:13 (6920): 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
23:11:14 (6920): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:11:14 (6920): 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\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\BOINC\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
23:51:10 (6920): C:/Windows/system32/cmd.exe exited; CPU time 2328.781250
23:51:10 (6920): 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: 51016337 bytes.
Dumping objects ->
{3835276} normal block at 0x0000021E22515350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000021E225152E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000021E225153C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x0000021E208356E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000021E20835590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x0000021E224B99B0, 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) : {3835188} normal block at 0x0000021E2082D720, 8 bytes long.
 Data: <  |     > 00 00 7C 20 1E 02 00 00 
{3833963} normal block at 0x0000021E2082E120, 8 bytes long.
 Data: < &#230;      > 10 E6 90 20 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021E20831610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021E20826A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021E20836200, 16 bytes long.
 Data: <Ho&#131;             > 48 6F 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021E20836BB0, 16 bytes long.
 Data: < o&#131;             > 20 6F 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021E20830220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021E20836B60, 16 bytes long.
 Data: <&#248;n&#131;             > F8 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E20836A20, 16 bytes long.
 Data: <&#208;n&#131;             > D0 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E20836B10, 16 bytes long.
 Data: <&#168;n&#131;             > A8 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021E208369D0, 16 bytes long.
 Data: < n&#131;             > 80 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E20835130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021E208368E0, 16 bytes long.
 Data: <(&#149;&#130;             > 28 95 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021E2082FDA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021E20835E90, 16 bytes long.
 Data: < &#149;&#130;             > 00 95 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E20836840, 16 bytes long.
 Data: <&#216;&#148;&#130;             > D8 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E20835D00, 16 bytes long.
 Data: <&#176;&#148;&#130;             > B0 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E208363E0, 16 bytes long.
 Data: < &#148;&#130;             > 88 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E20836250, 16 bytes long.
 Data: <`&#148;&#130;             > 60 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E208365C0, 16 bytes long.
 Data: <8&#148;&#130;             > 38 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E20830040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021E20836610, 16 bytes long.
 Data: < &#148;&#130;             > 10 94 82 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E20829410, 320 bytes long.
 Data: < f&#131;     @ &#131;     > 10 66 83 20 1E 02 00 00 40 00 83 20 1E 02 00 00 
{277} normal block at 0x0000021E20836890, 16 bytes long.
 Data: <`n&#131;             > 60 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E20836570, 16 bytes long.
 Data: <8n&#131;             > 38 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E2082FA40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021E20835E40, 16 bytes long.
 Data: < n&#131;             > 10 6E 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E2082FB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021E208367A0, 16 bytes long.
 Data: <Xm&#131;             > 58 6D 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E20836980, 16 bytes long.
 Data: <0m&#131;             > 30 6D 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E20836A70, 16 bytes long.
 Data: < m&#131;             > 08 6D 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E20836480, 16 bytes long.
 Data: <&#224;l&#131;             > E0 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E20836520, 16 bytes long.
 Data: <&#184;l&#131;             > B8 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E20836750, 16 bytes long.
 Data: < l&#131;             > 90 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E20836160, 16 bytes long.
 Data: < R&#131;             > 10 52 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E20835210, 40 bytes long.
 Data: <`a&#131;     &#176; K"    > 60 61 83 20 1E 02 00 00 B0 99 4B 22 1E 02 00 00 
{263} normal block at 0x0000021E208367F0, 16 bytes long.
 Data: <pl&#131;             > 70 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E20836660, 16 bytes long.
 Data: <Hl&#131;             > 48 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E2082FE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021E20836930, 16 bytes long.
 Data: < l&#131;             > 20 6C 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021E20836C20, 992 bytes long.
 Data: <0i&#131;     `&#254;&#130;     > 30 69 83 20 1E 02 00 00 60 FE 82 20 1E 02 00 00 
{95} normal block at 0x0000021E208304C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021E2082DA40, 16 bytes long.
 Data: <&#240;R&#131;             > F0 52 83 20 1E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021E208352F0, 40 bytes long.
 Data: <@&#218;&#130;     &#192; &#131;     > 40 DA 82 20 1E 02 00 00 C0 04 83 20 1E 02 00 00 
{72} normal block at 0x0000021E2082E0D0, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021E2082E4E0, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021E2082E080, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E2082D7C0, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E2082D900, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E2082E5D0, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E2082D9F0, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E2082E170, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E2082DEF0, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E2082DD10, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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