Task 38677626

Name test_864-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1542_0
Workunit 31619491
Created 26 Oct 2026, 14:54:51 UTC
Sent 26 Oct 2026, 14:54:58 UTC
Report deadline 31 Oct 2026, 14:54:58 UTC
Received 26 Oct 2026, 15:30:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 28 min 59 sec
CPU time 26 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.34 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:02:21 (15648): wrapper (7.9.26016): starting
16:02:21 (15648): 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
16:02:22 (15648): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:02:22 (15648): 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\14\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\14\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
16:30:12 (15648): C:/Windows/system32/cmd.exe exited; CPU time 1569.312500
16:30:12 (15648): 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: 32755182 bytes.
Dumping objects ->
{3835282} normal block at 0x0000012FE99711E0, 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 0x0000012FE9970990, 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 0x0000012FE9970FB0, 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 0x0000012FE99712C0, 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 0x0000012FE9970DF0, 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 0x0000012FE9A6D810, 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 0x0000012FE9A7F5D0, 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) : {3835193} normal block at 0x0000012FE7E4EF50, 8 bytes long.
 Data: <  &#219;&#231;/   > 00 00 DB E7 2F 01 00 00 
{3834572} normal block at 0x0000012FE9A801B0, 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 0x0000012FE7E4F5E0, 8 bytes long.
 Data: <&#160;&#230;&#227;&#231;/   > A0 E6 E3 E7 2F 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000012FE7E50270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000012FE7E47A80, 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 0x0000012FE7E575E0, 16 bytes long.
 Data: <h&#132;&#229;&#231;/           > 68 84 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000012FE7E57A90, 16 bytes long.
 Data: <@&#132;&#229;&#231;/           > 40 84 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012FE7E52640, 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 0x0000012FE7E57F90, 16 bytes long.
 Data: < &#132;&#229;&#231;/           > 18 84 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012FE7E57450, 16 bytes long.
 Data: <&#240;&#131;&#229;&#231;/           > F0 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012FE7E578B0, 16 bytes long.
 Data: <&#200;&#131;&#229;&#231;/           > C8 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012FE7E57900, 16 bytes long.
 Data: <&#160;&#131;&#229;&#231;/           > A0 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012FE7E4F930, 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 0x0000012FE7E57EF0, 16 bytes long.
 Data: <&#184; &#228;&#231;/           > B8 0D E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012FE7E527C0, 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 0x0000012FE7E576D0, 16 bytes long.
 Data: <  &#228;&#231;/           > 90 0D E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012FE7E57C20, 16 bytes long.
 Data: <h &#228;&#231;/           > 68 0D E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012FE7E57A40, 16 bytes long.
 Data: <@ &#228;&#231;/           > 40 0D E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012FE7E57950, 16 bytes long.
 Data: <  &#228;&#231;/           > 18 0D E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012FE7E579F0, 16 bytes long.
 Data: <&#240; &#228;&#231;/           > F0 0C E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012FE7E57400, 16 bytes long.
 Data: <&#200; &#228;&#231;/           > C8 0C E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012FE7E51FE0, 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 0x0000012FE7E57590, 16 bytes long.
 Data: <&#160; &#228;&#231;/           > A0 0C E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012FE7E40CA0, 320 bytes long.
 Data: < u&#229;&#231;/   &#224; &#229;&#231;/   > 90 75 E5 E7 2F 01 00 00 E0 1F E5 E7 2F 01 00 00 
{281} normal block at 0x0000012FE7E57F40, 16 bytes long.
 Data: < &#131;&#229;&#231;/           > 80 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012FE7E57FE0, 16 bytes long.
 Data: <X&#131;&#229;&#231;/           > 58 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012FE7E52820, 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 0x0000012FE7E57D60, 16 bytes long.
 Data: <0&#131;&#229;&#231;/           > 30 83 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012FE7E52AC0, 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 0x0000012FE7E57EA0, 16 bytes long.
 Data: <x&#130;&#229;&#231;/           > 78 82 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012FE7E57B30, 16 bytes long.
 Data: <P&#130;&#229;&#231;/           > 50 82 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012FE7E57BD0, 16 bytes long.
 Data: <(&#130;&#229;&#231;/           > 28 82 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012FE7E57D10, 16 bytes long.
 Data: < &#130;&#229;&#231;/           > 00 82 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012FE7E58080, 16 bytes long.
 Data: <&#216; &#229;&#231;/           > D8 81 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012FE7E57860, 16 bytes long.
 Data: <&#176; &#229;&#231;/           > B0 81 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012FE7E57720, 16 bytes long.
 Data: <&#160;&#249;&#228;&#231;/           > A0 F9 E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012FE7E4F9A0, 40 bytes long.
 Data: < w&#229;&#231;/    &#216;&#166;&#233;/   > 20 77 E5 E7 2F 01 00 00 10 D8 A6 E9 2F 01 00 00 
{267} normal block at 0x0000012FE7E58030, 16 bytes long.
 Data: <  &#229;&#231;/           > 90 81 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012FE7E57B80, 16 bytes long.
 Data: <h &#229;&#231;/           > 68 81 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012FE7E52160, 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 0x0000012FE7E577C0, 16 bytes long.
 Data: <@ &#229;&#231;/           > 40 81 E5 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012FE7E58140, 992 bytes long.
 Data: <&#192;w&#229;&#231;/   `!&#229;&#231;/   > C0 77 E5 E7 2F 01 00 00 60 21 E5 E7 2F 01 00 00 
{99} normal block at 0x0000012FE7E52580, 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 0x0000012FE7E4EAA0, 16 bytes long.
 Data: <&#192;&#248;&#228;&#231;/           > C0 F8 E4 E7 2F 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000012FE7E4F8C0, 40 bytes long.
 Data: <&#160;&#234;&#228;&#231;/    %&#229;&#231;/   > A0 EA E4 E7 2F 01 00 00 80 25 E5 E7 2F 01 00 00 
{76} normal block at 0x0000012FE7E4F130, 16 bytes long.
 Data: < &#234;<&#206;&#247;           > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000012FE7E4E8C0, 16 bytes long.
 Data: <@&#233;<&#206;&#247;           > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000012FE7E4F0E0, 16 bytes long.
 Data: <&#248;W9&#206;&#247;           > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000012FE7E4EF00, 16 bytes long.
 Data: <&#216;W9&#206;&#247;           > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012FE7E4E9B0, 16 bytes long.
 Data: <P 9&#206;&#247;           > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012FE7E4EA50, 16 bytes long.
 Data: <0 9&#206;&#247;           > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012FE7E4E910, 16 bytes long.
 Data: <&#224; 9&#206;&#247;           > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012FE7E4E820, 16 bytes long.
 Data: <  9&#206;&#247;           > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012FE7E4EFA0, 16 bytes long.
 Data: <p 9&#206;&#247;           > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012FE7E4E870, 16 bytes long.
 Data: < &#192;7&#206;&#247;           > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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