Task 38678948

Name test_438-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4897_0
Workunit 31620748
Created 26 Oct 2026, 18:57:07 UTC
Sent 26 Oct 2026, 18:57:10 UTC
Report deadline 31 Oct 2026, 18:57:10 UTC
Received 26 Oct 2026, 21:09:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 32 min 54 sec
CPU time 30 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.70 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:37:25 (29008): wrapper (7.9.26016): starting
16:37:25 (29008): 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
16:37:26 (29008): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:37:26 (29008): 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\31\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\31\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
17:09:08 (29008): C:/Windows/system32/cmd.exe exited; CPU time 1853.250000
17:09:08 (29008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 40041036 bytes.
Dumping objects ->
{3835291} normal block at 0x0000016FB88D7DB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000016FB88D8590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000016FB88D78E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000016FB88D7B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000016FB88D82F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x0000016FBA7DB190, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000016FBA7ECE90, 85 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) : {3835202} normal block at 0x0000016FB88B4B00, 8 bytes long.
 Data: <  &#218;&#184;o   > 00 00 DA B8 6F 01 00 00 
{3834578} normal block at 0x0000016FBA7EC850, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000016FB88B4CE0, 8 bytes long.
 Data: <`&#231;c&#186;o   > 60 E7 63 BA 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000016FB88A4010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000016FB88670C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000016FB88B5690, 16 bytes long.
 Data: < F&#139;&#184;o           > 98 46 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000016FB88B5280, 16 bytes long.
 Data: <pF&#139;&#184;o           > 70 46 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016FB88ACED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000016FB88B52D0, 16 bytes long.
 Data: <HF&#139;&#184;o           > 48 46 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016FB88B4BF0, 16 bytes long.
 Data: < F&#139;&#184;o           > 20 46 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016FB88B5730, 16 bytes long.
 Data: <&#248;E&#139;&#184;o           > F8 45 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016FB88AFC40, 16 bytes long.
 Data: <&#208;E&#139;&#184;o           > D0 45 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016FB88AE480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000016FB88AFBF0, 16 bytes long.
 Data: <&#168;@&#139;&#184;o           > A8 40 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016FB88ACE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000016FB88B0A50, 16 bytes long.
 Data: < @&#139;&#184;o           > 80 40 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016FB88B0A00, 16 bytes long.
 Data: <X@&#139;&#184;o           > 58 40 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016FB88B09B0, 16 bytes long.
 Data: <0@&#139;&#184;o           > 30 40 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016FB88B0500, 16 bytes long.
 Data: < @&#139;&#184;o           > 08 40 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016FB88B04B0, 16 bytes long.
 Data: <&#224;?&#139;&#184;o           > E0 3F 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016FB88B0050, 16 bytes long.
 Data: <&#184;?&#139;&#184;o           > B8 3F 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016FB88AC4B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000016FB88B02D0, 16 bytes long.
 Data: < ?&#139;&#184;o           > 90 3F 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016FB88B3F90, 320 bytes long.
 Data: <&#208; &#139;&#184;o   &#176;&#196;&#138;&#184;o   > D0 02 8B B8 6F 01 00 00 B0 C4 8A B8 6F 01 00 00 
{281} normal block at 0x0000016FB88B0820, 16 bytes long.
 Data: <&#176;E&#139;&#184;o           > B0 45 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016FB88B0410, 16 bytes long.
 Data: < E&#139;&#184;o           > 88 45 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016FB88ACBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000016FB88B0000, 16 bytes long.
 Data: <`E&#139;&#184;o           > 60 45 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016FB88ACCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000016FB88B0910, 16 bytes long.
 Data: <&#168;D&#139;&#184;o           > A8 44 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016FB88B07D0, 16 bytes long.
 Data: < D&#139;&#184;o           > 80 44 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016FB88AFF60, 16 bytes long.
 Data: <XD&#139;&#184;o           > 58 44 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016FB88B0460, 16 bytes long.
 Data: <0D&#139;&#184;o           > 30 44 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016FB88AFF10, 16 bytes long.
 Data: < D&#139;&#184;o           > 08 44 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016FB88B0370, 16 bytes long.
 Data: <&#224;C&#139;&#184;o           > E0 43 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016FB88AFE20, 16 bytes long.
 Data: <p&#225;&#138;&#184;o           > 70 E1 8A B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016FB88AE170, 40 bytes long.
 Data: < &#254;&#138;&#184;o    &#177;}&#186;o   > 20 FE 8A B8 6F 01 00 00 90 B1 7D BA 6F 01 00 00 
{267} normal block at 0x0000016FB88B0870, 16 bytes long.
 Data: <&#192;C&#139;&#184;o           > C0 43 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016FB88B03C0, 16 bytes long.
 Data: < C&#139;&#184;o           > 98 43 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016FB88ACC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000016FB88B0320, 16 bytes long.
 Data: <pC&#139;&#184;o           > 70 43 8B B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016FB88B4370, 992 bytes long.
 Data: <  &#139;&#184;o    &#204;&#138;&#184;o   > 20 03 8B B8 6F 01 00 00 90 CC 8A B8 6F 01 00 00 
{99} normal block at 0x0000016FB88ACD50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000016FB88AFD30, 16 bytes long.
 Data: < &#228;&#138;&#184;o           > 10 E4 8A B8 6F 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000016FB88AE410, 40 bytes long.
 Data: <0&#253;&#138;&#184;o   P&#205;&#138;&#184;o   > 30 FD 8A B8 6F 01 00 00 50 CD 8A B8 6F 01 00 00 
{76} normal block at 0x0000016FB88B0AA0, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000016FB88AFFB0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000016FB88B0280, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000016FB88B0550, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016FB88AFD80, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016FB88B0780, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016FB88AFBA0, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016FB88B0190, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016FB88B00F0, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016FB88B0140, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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