Task 38678568

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8529_0
Workunit 31620382
Created 26 Oct 2026, 17:50:30 UTC
Sent 26 Oct 2026, 17:50:32 UTC
Report deadline 31 Oct 2026, 17:50:32 UTC
Received 26 Oct 2026, 19:30:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 33 min 54 sec
CPU time 31 min 34 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 716.18 MB
Peak swap size 9.92 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:57:52 (39500): wrapper (7.9.26016): starting
14:57:52 (39500): 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
14:57:53 (39500): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:57:53 (39500): 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: Exiting with failure status due to previous errors
15:30:35 (39500): C:/Windows/system32/cmd.exe exited; CPU time 1894.906250
15:30:35 (39500): 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: 41545628 bytes.
Dumping objects ->
{3835291} normal block at 0x0000017840B182F0, 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 0x0000017840B18210, 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 0x0000017840B180C0, 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 0x0000017840B17950, 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 0x0000017840B17CD0, 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 0x0000017842869710, 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 0x000001784287D070, 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 0x0000017840AF4A10, 8 bytes long.
 Data: <  &#167;@x   > 00 00 A7 40 78 01 00 00 
{3834578} normal block at 0x000001784287CC10, 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 0x0000017840AF4BA0, 8 bytes long.
 Data: <`&#231;oBx   > 60 E7 6F 42 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000017840AE43D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000017840AA6970, 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 0x0000017840AF48D0, 16 bytes long.
 Data: < F&#175;@x           > 98 46 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000017840AF55A0, 16 bytes long.
 Data: <pF&#175;@x           > 70 46 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017840AED050, 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 0x0000017840AF5230, 16 bytes long.
 Data: <HF&#175;@x           > 48 46 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017840AF51E0, 16 bytes long.
 Data: < F&#175;@x           > 20 46 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017840AF4880, 16 bytes long.
 Data: <&#248;E&#175;@x           > F8 45 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017840AF00F0, 16 bytes long.
 Data: <&#208;E&#175;@x           > D0 45 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017840AEE090, 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 0x0000017840AEFF10, 16 bytes long.
 Data: <&#168;@&#175;@x           > A8 40 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017840AECA50, 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 0x0000017840AEFEC0, 16 bytes long.
 Data: < @&#175;@x           > 80 40 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017840AEFC40, 16 bytes long.
 Data: <X@&#175;@x           > 58 40 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017840AF0AA0, 16 bytes long.
 Data: <0@&#175;@x           > 30 40 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017840AF0A50, 16 bytes long.
 Data: < @&#175;@x           > 08 40 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017840AF02D0, 16 bytes long.
 Data: <&#224;?&#175;@x           > E0 3F AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017840AEFBF0, 16 bytes long.
 Data: <&#184;?&#175;@x           > B8 3F AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017840AECE70, 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 0x0000017840AF04B0, 16 bytes long.
 Data: < ?&#175;@x           > 90 3F AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017840AF3F90, 320 bytes long.
 Data: <&#176; &#175;@x   p&#206;&#174;@x   > B0 04 AF 40 78 01 00 00 70 CE AE 40 78 01 00 00 
{281} normal block at 0x0000017840AF08C0, 16 bytes long.
 Data: <&#176;E&#175;@x           > B0 45 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017840AF0820, 16 bytes long.
 Data: < E&#175;@x           > 88 45 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017840AECB70, 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 0x0000017840AF0870, 16 bytes long.
 Data: <`E&#175;@x           > 60 45 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017840AEC210, 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 0x0000017840AF06E0, 16 bytes long.
 Data: <&#168;D&#175;@x           > A8 44 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017840AEFBA0, 16 bytes long.
 Data: < D&#175;@x           > 80 44 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017840AF0690, 16 bytes long.
 Data: <XD&#175;@x           > 58 44 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017840AF0780, 16 bytes long.
 Data: <0D&#175;@x           > 30 44 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017840AF0AF0, 16 bytes long.
 Data: < D&#175;@x           > 08 44 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017840AF0640, 16 bytes long.
 Data: <&#224;C&#175;@x           > E0 43 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017840AF0550, 16 bytes long.
 Data: < &#228;&#174;@x           > 10 E4 AE 40 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017840AEE410, 40 bytes long.
 Data: <P &#175;@x    &#151;&#134;Bx   > 50 05 AF 40 78 01 00 00 10 97 86 42 78 01 00 00 
{267} normal block at 0x0000017840AF0410, 16 bytes long.
 Data: <&#192;C&#175;@x           > C0 43 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017840AEFD80, 16 bytes long.
 Data: < C&#175;@x           > 98 43 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017840AECFF0, 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 0x0000017840AF0960, 16 bytes long.
 Data: <pC&#175;@x           > 70 43 AF 40 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017840AF4370, 992 bytes long.
 Data: <`	&#175;@x   &#240;&#207;&#174;@x   > 60 09 AF 40 78 01 00 00 F0 CF AE 40 78 01 00 00 
{99} normal block at 0x0000017840AECF90, 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 0x0000017840AF0730, 16 bytes long.
 Data: < &#231;&#174;@x           > 20 E7 AE 40 78 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000017840AEE720, 40 bytes long.
 Data: <0 &#175;@x    &#207;&#174;@x   > 30 07 AF 40 78 01 00 00 90 CF AE 40 78 01 00 00 
{76} normal block at 0x0000017840AEFE70, 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 0x0000017840AEFDD0, 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 0x0000017840AF0190, 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 0x0000017840AF07D0, 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 0x0000017840AEFFB0, 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 0x0000017840AF0050, 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 0x0000017840AEFF60, 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 0x0000017840AF09B0, 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 0x0000017840AEFCE0, 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 0x0000017840AF0460, 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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