Task 38678245

Name test_664-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4414_0
Workunit 31620075
Created 26 Oct 2026, 16:49:45 UTC
Sent 26 Oct 2026, 16:49:49 UTC
Report deadline 31 Oct 2026, 16:49:49 UTC
Received 26 Oct 2026, 18:03:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 25 min 48 sec
CPU time 23 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.69 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:36:41 (8896): wrapper (7.9.26016): starting
18:36:41 (8896): 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
18:36:42 (8896): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:36:42 (8896): 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\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\BOINC\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: Exiting with failure status due to previous errors
19:01:48 (8896): C:/Windows/system32/cmd.exe exited; CPU time 1430.640625
19:01:48 (8896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 21928938 bytes.
Dumping objects ->
{3835554} normal block at 0x00000222696EFD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000022267AA48C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000022267AA47E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000022267AA4E70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000022267AA4E00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000022269766800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000022267A962C0, 83 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) : {3835465} normal block at 0x0000022267A9EE70, 8 bytes long.
 Data: <  &#248;g"   > 00 00 F8 67 22 02 00 00 
{3834684} normal block at 0x0000022267A968F0, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022267A9F4B0, 8 bytes long.
 Data: <&#192;X i"   > C0 58 7F 69 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022267AA0B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022267A96590, 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 0x0000022267AA5E40, 16 bytes long.
 Data: <&#216;f&#170;g"           > D8 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022267AA6250, 16 bytes long.
 Data: <&#176;f&#170;g"           > B0 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022267A9FE90, 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 0x0000022267AA5A80, 16 bytes long.
 Data: < f&#170;g"           > 88 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022267AA5C60, 16 bytes long.
 Data: <`f&#170;g"           > 60 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022267AA5990, 16 bytes long.
 Data: <8f&#170;g"           > 38 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022267AA5850, 16 bytes long.
 Data: < f&#170;g"           > 10 66 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022267AA49A0, 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 0x0000022267AA5EE0, 16 bytes long.
 Data: < &#235;&#168;g"           > 88 EB A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022267AA0130, 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 0x0000022267AA5BC0, 16 bytes long.
 Data: <`&#235;&#168;g"           > 60 EB A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022267AA54E0, 16 bytes long.
 Data: <8&#235;&#168;g"           > 38 EB A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022267AA5A30, 16 bytes long.
 Data: < &#235;&#168;g"           > 10 EB A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022267AA5800, 16 bytes long.
 Data: <&#232;&#234;&#168;g"           > E8 EA A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022267AA5440, 16 bytes long.
 Data: <&#192;&#234;&#168;g"           > C0 EA A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022267AA56C0, 16 bytes long.
 Data: < &#234;&#168;g"           > 98 EA A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022267AA02B0, 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 0x0000022267AA5D00, 16 bytes long.
 Data: <p&#234;&#168;g"           > 70 EA A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022267A8EA70, 320 bytes long.
 Data: < ]&#170;g"   &#176; &#170;g"   > 00 5D AA 67 22 02 00 00 B0 02 AA 67 22 02 00 00 
{274} normal block at 0x0000022267AA6110, 16 bytes long.
 Data: <&#240;e&#170;g"           > F0 65 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022267AA5620, 16 bytes long.
 Data: <&#200;e&#170;g"           > C8 65 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022267AA00D0, 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 0x0000022267AA57B0, 16 bytes long.
 Data: <&#160;e&#170;g"           > A0 65 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022267AA0070, 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 0x0000022267AA5CB0, 16 bytes long.
 Data: <&#232;d&#170;g"           > E8 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022267AA5E90, 16 bytes long.
 Data: <&#192;d&#170;g"           > C0 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022267AA60C0, 16 bytes long.
 Data: < d&#170;g"           > 98 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022267AA6200, 16 bytes long.
 Data: <pd&#170;g"           > 70 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022267AA58F0, 16 bytes long.
 Data: <Hd&#170;g"           > 48 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022267AA5760, 16 bytes long.
 Data: < d&#170;g"           > 20 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022267AA5580, 16 bytes long.
 Data: <PH&#170;g"           > 50 48 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022267AA4850, 40 bytes long.
 Data: < U&#170;g"    hvi"   > 80 55 AA 67 22 02 00 00 00 68 76 69 22 02 00 00 
{260} normal block at 0x0000022267AA5530, 16 bytes long.
 Data: < d&#170;g"           > 00 64 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022267AA5C10, 16 bytes long.
 Data: <&#216;c&#170;g"           > D8 63 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022267AA0310, 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 0x0000022267AA5DA0, 16 bytes long.
 Data: <&#176;c&#170;g"           > B0 63 AA 67 22 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022267AA63B0, 992 bytes long.
 Data: <&#160;]&#170;g"     &#170;g"   > A0 5D AA 67 22 02 00 00 10 03 AA 67 22 02 00 00 
{92} normal block at 0x0000022267AA0370, 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 0x0000022267A9E9C0, 16 bytes long.
 Data: <&#208;&#242;&#168;g"           > D0 F2 A8 67 22 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022267A8F2D0, 40 bytes long.
 Data: <&#192;&#233;&#169;g"   p &#170;g"   > C0 E9 A9 67 22 02 00 00 70 03 AA 67 22 02 00 00 
{69} normal block at 0x0000022267A9ED80, 16 bytes long.
 Data: < &#234;Y &#247;           > 80 EA 59 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022267A9F0A0, 16 bytes long.
 Data: <@&#233;Y &#247;           > 40 E9 59 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022267A9F050, 16 bytes long.
 Data: <&#248;WV &#247;           > F8 57 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022267A9EF10, 16 bytes long.
 Data: <&#216;WV &#247;           > D8 57 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022267A9EC90, 16 bytes long.
 Data: <P V &#247;           > 50 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022267A9F230, 16 bytes long.
 Data: <0 V &#247;           > 30 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022267A9F640, 16 bytes long.
 Data: <&#224; V &#247;           > E0 02 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022267A9F780, 16 bytes long.
 Data: <  V &#247;           > 10 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022267A9EEC0, 16 bytes long.
 Data: <p V &#247;           > 70 04 56 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022267A9F1E0, 16 bytes long.
 Data: < &#192;T &#247;           > 18 C0 54 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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