Task 38684785

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0684_0
Workunit 31626289
Created 27 Oct 2026, 17:58:08 UTC
Sent 27 Oct 2026, 17:58:14 UTC
Report deadline 1 Nov 2026, 17:58:14 UTC
Received 27 Oct 2026, 19:18:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 49 min 1 sec
CPU time 45 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.59 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:16 (25148): wrapper (7.9.26016): starting
14:29:16 (25148): 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
14:29:18 (25148): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:18 (25148): 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\32\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\32\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
15:17:05 (25148): C:/Windows/system32/cmd.exe exited; CPU time 2730.687500
15:17:05 (25148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 65700645 bytes.
Dumping objects ->
{3835230} normal block at 0x000002027FDFB270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002027F384BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002027F384720, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000002027F384B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002027F384CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000002027FDEAE90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x000002027FD10570, 160 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) : {3835141} normal block at 0x000002027F37F800, 8 bytes long.
 Data: <  &#180;     > 00 00 B4 7F 02 02 00 00 
{3834544} normal block at 0x000002027FD102D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002027F37F850, 8 bytes long.
 Data: <&#192;L&#228;     > C0 4C E4 7F 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002027F380C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002027F376B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002027F3857C0, 16 bytes long.
 Data: <&#232;f8             > E8 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002027F385EA0, 16 bytes long.
 Data: <&#192;f8             > C0 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002027F37ECA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002027F385E50, 16 bytes long.
 Data: < f8             > 98 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002027F385C20, 16 bytes long.
 Data: <pf8             > 70 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002027F386300, 16 bytes long.
 Data: <Hf8             > 48 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002027F385AE0, 16 bytes long.
 Data: < f8             > 20 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002027F384B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002027F385A90, 16 bytes long.
 Data: <( 7             > 28 90 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002027F37F240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002027F3854A0, 16 bytes long.
 Data: <  7             > 00 90 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002027F385860, 16 bytes long.
 Data: <&#216; 7             > D8 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002027F386030, 16 bytes long.
 Data: <&#176; 7             > B0 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002027F386170, 16 bytes long.
 Data: <  7             > 88 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002027F385950, 16 bytes long.
 Data: <` 7             > 60 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002027F385DB0, 16 bytes long.
 Data: <8 7             > 38 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002027F37E820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002027F386120, 16 bytes long.
 Data: <  7             > 10 8F 37 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002027F378F10, 320 bytes long.
 Data: < a8      &#232;7     > 20 61 38 7F 02 02 00 00 20 E8 37 7F 02 02 00 00 
{275} normal block at 0x000002027F385A40, 16 bytes long.
 Data: < f8             > 00 66 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002027F3859F0, 16 bytes long.
 Data: <&#216;e8             > D8 65 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002027F37F180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002027F3861C0, 16 bytes long.
 Data: <&#176;e8             > B0 65 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002027F37EEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002027F3862B0, 16 bytes long.
 Data: <&#248;d8             > F8 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002027F385E00, 16 bytes long.
 Data: <&#208;d8             > D0 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002027F3860D0, 16 bytes long.
 Data: <&#168;d8             > A8 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002027F3854F0, 16 bytes long.
 Data: < d8             > 80 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002027F385900, 16 bytes long.
 Data: <Xd8             > 58 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002027F385400, 16 bytes long.
 Data: <0d8             > 30 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002027F386260, 16 bytes long.
 Data: <PI8             > 50 49 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002027F384950, 40 bytes long.
 Data: <`b8      &#174;&#222;     > 60 62 38 7F 02 02 00 00 90 AE DE 7F 02 02 00 00 
{261} normal block at 0x000002027F386210, 16 bytes long.
 Data: < d8             > 10 64 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002027F3858B0, 16 bytes long.
 Data: <&#232;c8             > E8 63 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002027F37E760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002027F3855E0, 16 bytes long.
 Data: <&#192;c8             > C0 63 38 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002027F3863C0, 992 bytes long.
 Data: <&#224;U8     `&#231;7     > E0 55 38 7F 02 02 00 00 60 E7 37 7F 02 02 00 00 
{93} normal block at 0x000002027F37EE20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002027F37F9E0, 16 bytes long.
 Data: <&#224;&#238;6             > E0 EE 36 7F 02 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002027F36EEE0, 40 bytes long.
 Data: <&#224;&#249;7      &#238;7     > E0 F9 37 7F 02 02 00 00 20 EE 37 7F 02 02 00 00 
{70} normal block at 0x000002027F37F8F0, 16 bytes long.
 Data: < &#234;&#244;&#133;&#246;           > 80 EA F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002027F37F7B0, 16 bytes long.
 Data: <@&#233;&#244;&#133;&#246;           > 40 E9 F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002027F380430, 16 bytes long.
 Data: <&#248;W&#241;&#133;&#246;           > F8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002027F380160, 16 bytes long.
 Data: <&#216;W&#241;&#133;&#246;           > D8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002027F37FC10, 16 bytes long.
 Data: <P &#241;&#133;&#246;           > 50 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002027F37F760, 16 bytes long.
 Data: <0 &#241;&#133;&#246;           > 30 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002027F380520, 16 bytes long.
 Data: <&#224; &#241;&#133;&#246;           > E0 02 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002027F37F990, 16 bytes long.
 Data: <  &#241;&#133;&#246;           > 10 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002027F37F710, 16 bytes long.
 Data: <p &#241;&#133;&#246;           > 70 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002027F380660, 16 bytes long.
 Data: < &#192;&#239;&#133;&#246;           > 18 C0 EF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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