Task 38654048

Name test_87-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND9344_0
Workunit 31597902
Created 24 Oct 2026, 6:36:08 UTC
Sent 24 Oct 2026, 7:23:06 UTC
Report deadline 29 Oct 2026, 7:23:06 UTC
Received 24 Oct 2026, 10:29:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 18 min 39 sec
CPU time 18 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.21 MB
Peak swap size 5.46 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:14:07 (9692): wrapper (7.9.26016): starting
10:14:07 (9692): 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
10:14:08 (9692): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:14:08 (9692): 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\0\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\0\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
12:28:47 (9692): C:/Windows/system32/cmd.exe exited; CPU time 1119.734375
12:28:47 (9692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 143987413 bytes.
Dumping objects ->
{3835256} normal block at 0x0000027333B4CDC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000027331E447D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000027331E446F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000027331E44680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027331E44610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000027333B97FC0, 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) : {3835168} normal block at 0x0000027331E3F850, 8 bytes long.
 Data: <  G2s   > 00 00 47 32 73 02 00 00 
{3833957} normal block at 0x0000027331E3FC60, 8 bytes long.
 Data: <&#160;7&#194;3s   > A0 37 C2 33 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000027331E36080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027331E37760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000027331E458E0, 16 bytes long.
 Data: < d&#228;1s           > 18 64 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027331E454D0, 16 bytes long.
 Data: <&#240;c&#228;1s           > F0 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027331E405D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000027331E450C0, 16 bytes long.
 Data: <&#200;c&#228;1s           > C8 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027331E45430, 16 bytes long.
 Data: <&#160;c&#228;1s           > A0 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027331E45340, 16 bytes long.
 Data: <xc&#228;1s           > 78 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027331E45B10, 16 bytes long.
 Data: <Pc&#228;1s           > 50 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027331E44A70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000027331E45890, 16 bytes long.
 Data: < &#158;&#227;1s           > 08 9E E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027331E40D50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000027331E45B60, 16 bytes long.
 Data: <&#224; &#227;1s           > E0 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027331E45070, 16 bytes long.
 Data: <&#184; &#227;1s           > B8 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027331E44FD0, 16 bytes long.
 Data: <  &#227;1s           > 90 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027331E45390, 16 bytes long.
 Data: <h &#227;1s           > 68 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027331E45020, 16 bytes long.
 Data: <@ &#227;1s           > 40 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027331E45570, 16 bytes long.
 Data: <  &#227;1s           > 18 9D E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027331E404B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000027331E45AC0, 16 bytes long.
 Data: <&#240;&#156;&#227;1s           > F0 9C E3 31 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027331E39CF0, 320 bytes long.
 Data: <&#192;Z&#228;1s   &#176; &#228;1s   > C0 5A E4 31 73 02 00 00 B0 04 E4 31 73 02 00 00 
{274} normal block at 0x0000027331E44F80, 16 bytes long.
 Data: <0c&#228;1s           > 30 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027331E452F0, 16 bytes long.
 Data: < c&#228;1s           > 08 63 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027331E40450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000027331E45E80, 16 bytes long.
 Data: <&#224;b&#228;1s           > E0 62 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027331E40B10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000027331E45160, 16 bytes long.
 Data: <(b&#228;1s           > 28 62 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027331E45480, 16 bytes long.
 Data: < b&#228;1s           > 00 62 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027331E45250, 16 bytes long.
 Data: <&#216;a&#228;1s           > D8 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027331E45DE0, 16 bytes long.
 Data: <&#176;a&#228;1s           > B0 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027331E45A70, 16 bytes long.
 Data: < a&#228;1s           > 88 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027331E45E30, 16 bytes long.
 Data: <`a&#228;1s           > 60 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027331E45110, 16 bytes long.
 Data: <pC&#228;1s           > 70 43 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027331E44370, 40 bytes long.
 Data: < Q&#228;1s   &#192; &#185;3s   > 10 51 E4 31 73 02 00 00 C0 7F B9 33 73 02 00 00 
{260} normal block at 0x0000027331E45750, 16 bytes long.
 Data: <@a&#228;1s           > 40 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027331E45D40, 16 bytes long.
 Data: < a&#228;1s           > 18 61 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027331E408D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000027331E45840, 16 bytes long.
 Data: <&#240;`&#228;1s           > F0 60 E4 31 73 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027331E460F0, 992 bytes long.
 Data: <@X&#228;1s   &#208; &#228;1s   > 40 58 E4 31 73 02 00 00 D0 08 E4 31 73 02 00 00 
{92} normal block at 0x0000027331E41350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000027331E40070, 16 bytes long.
 Data: <&#192;&#238;&#226;1s           > C0 EE E2 31 73 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000027331E2EEC0, 40 bytes long.
 Data: <p &#228;1s   P &#228;1s   > 70 00 E4 31 73 02 00 00 50 13 E4 31 73 02 00 00 
{69} normal block at 0x0000027331E3F530, 16 bytes long.
 Data: < &#234;0&#185;&#247;           > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027331E3FF80, 16 bytes long.
 Data: <@&#233;0&#185;&#247;           > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027331E3F670, 16 bytes long.
 Data: <&#248;W-&#185;&#247;           > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027331E3F490, 16 bytes long.
 Data: <&#216;W-&#185;&#247;           > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027331E3FBC0, 16 bytes long.
 Data: <P -&#185;&#247;           > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027331E3F4E0, 16 bytes long.
 Data: <0 -&#185;&#247;           > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027331E40390, 16 bytes long.
 Data: <&#224; -&#185;&#247;           > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027331E3FF30, 16 bytes long.
 Data: <  -&#185;&#247;           > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027331E40020, 16 bytes long.
 Data: <p -&#185;&#247;           > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027331E400C0, 16 bytes long.
 Data: < &#192;+&#185;&#247;           > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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