Task 38684464

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5548_0
Workunit 31625978
Created 27 Oct 2026, 16:29:36 UTC
Sent 27 Oct 2026, 16:29:41 UTC
Report deadline 1 Nov 2026, 16:29:41 UTC
Received 27 Oct 2026, 17:53:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 42 min 33 sec
CPU time 39 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.11 MB
Peak swap size 5.37 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:11:01 (16924): wrapper (7.9.26016): starting
18:11:01 (16924): 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
18:11:02 (16924): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:11:02 (16924): 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\7\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\7\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
18:52:31 (16924): C:/Windows/system32/cmd.exe exited; CPU time 2358.375000
18:52:31 (16924): 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: 34740333 bytes.
Dumping objects ->
{3835282} normal block at 0x000002537451E090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000002537451D8B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000025372884DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000025372884D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000025372884D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x0000025374565430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002537457E810, 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) : {3835193} normal block at 0x000002537287F130, 8 bytes long.
 Data: <  &#224;rS   > 00 00 E0 72 53 02 00 00 
{3834569} normal block at 0x000002537457E970, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002537287F6D0, 8 bytes long.
 Data: < >\tS   > 80 3E 5C 74 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002537287D6D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000253728763D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000253728858B0, 16 bytes long.
 Data: <&#168;j rS           > A8 6A 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025372885860, 16 bytes long.
 Data: < j rS           > 80 6A 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000253728802E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000253728859A0, 16 bytes long.
 Data: <Xj rS           > 58 6A 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253728859F0, 16 bytes long.
 Data: <0j rS           > 30 6A 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025372885B30, 16 bytes long.
 Data: < j rS           > 08 6A 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025372886670, 16 bytes long.
 Data: <&#224;i rS           > E0 69 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025372885020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000025372885A90, 16 bytes long.
 Data: <8&#244;&#134;rS           > 38 F4 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025372880A00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000025372886300, 16 bytes long.
 Data: < &#244;&#134;rS           > 10 F4 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025372886620, 16 bytes long.
 Data: <&#232;&#243;&#134;rS           > E8 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025372885810, 16 bytes long.
 Data: <&#192;&#243;&#134;rS           > C0 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025372885D60, 16 bytes long.
 Data: < &#243;&#134;rS           > 98 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025372885E00, 16 bytes long.
 Data: <p&#243;&#134;rS           > 70 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025372885900, 16 bytes long.
 Data: <H&#243;&#134;rS           > 48 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025372880280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000025372886080, 16 bytes long.
 Data: < &#243;&#134;rS           > 20 F3 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002537286F320, 320 bytes long.
 Data: < ` rS      rS   > 80 60 88 72 53 02 00 00 80 02 88 72 53 02 00 00 
{276} normal block at 0x00000253728861C0, 16 bytes long.
 Data: <&#192;i rS           > C0 69 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025372886170, 16 bytes long.
 Data: < i rS           > 98 69 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025372880880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000253728857C0, 16 bytes long.
 Data: <pi rS           > 70 69 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253728804C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000025372886580, 16 bytes long.
 Data: <&#184;h rS           > B8 68 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025372886030, 16 bytes long.
 Data: < h rS           > 90 68 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000253728865D0, 16 bytes long.
 Data: <hh rS           > 68 68 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253728863A0, 16 bytes long.
 Data: <@h rS           > 40 68 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000253728866C0, 16 bytes long.
 Data: < h rS           > 18 68 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025372886350, 16 bytes long.
 Data: <&#240;g rS           > F0 67 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025372886260, 16 bytes long.
 Data: <&#176;O rS           > B0 4F 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025372884FB0, 40 bytes long.
 Data: <`b rS   0TVtS   > 60 62 88 72 53 02 00 00 30 54 56 74 53 02 00 00 
{262} normal block at 0x0000025372886710, 16 bytes long.
 Data: <&#208;g rS           > D0 67 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025372886120, 16 bytes long.
 Data: <&#168;g rS           > A8 67 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025372880460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000025372886530, 16 bytes long.
 Data: < g rS           > 80 67 88 72 53 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025372886780, 992 bytes long.
 Data: <0e rS   `  rS   > 30 65 88 72 53 02 00 00 60 04 88 72 53 02 00 00 
{94} normal block at 0x00000253728808E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002537287F900, 16 bytes long.
 Data: <@&#212;&#134;rS           > 40 D4 86 72 53 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002537286D440, 40 bytes long.
 Data: < &#249;&#135;rS   &#224;  rS   > 00 F9 87 72 53 02 00 00 E0 08 88 72 53 02 00 00 
{71} normal block at 0x000002537287F5E0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002537287F9A0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002537287F450, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002537287EF00, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002537287EEB0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002537287ED20, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002537287EFF0, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002537287F590, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002537287EB90, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002537287EDC0, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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