Task 38676956

Name test_0-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6774_0
Workunit 31618847
Created 26 Oct 2026, 12:50:09 UTC
Sent 26 Oct 2026, 12:50:18 UTC
Report deadline 31 Oct 2026, 12:50:18 UTC
Received 26 Oct 2026, 13:47:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 28 min 5 sec
CPU time 26 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.86 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:19:32 (17068): wrapper (7.9.26016): starting
14:19:32 (17068): 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
14:19:33 (17068): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:19:33 (17068): 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\0\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\0\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
14:46:46 (17068): C:/Windows/system32/cmd.exe exited; CPU time 1560.968750
14:46:46 (17068): 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: 20696629 bytes.
Dumping objects ->
{3835234} normal block at 0x00000234696AD340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000234696AD420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000234696ADFF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000234696ADC70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000023467874DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000234696F4E80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002346970EB50, 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) : {3835145} normal block at 0x000002346786F650, 8 bytes long.
 Data: <  &#218;g4   > 00 00 DA 67 34 02 00 00 
{3834542} normal block at 0x000002346970EC00, 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 0x000002346786ECF0, 8 bytes long.
 Data: <pZxi4   > 70 5A 78 69 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000234678713A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002346785E8D0, 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 0x0000023467875E30, 16 bytes long.
 Data: <xf&#135;g4           > 78 66 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023467875890, 16 bytes long.
 Data: <Pf&#135;g4           > 50 66 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002346786FD90, 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 0x0000023467875840, 16 bytes long.
 Data: <(f&#135;g4           > 28 66 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023467875DE0, 16 bytes long.
 Data: < f&#135;g4           > 00 66 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023467875ED0, 16 bytes long.
 Data: <&#216;e&#135;g4           > D8 65 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234678759D0, 16 bytes long.
 Data: <&#176;e&#135;g4           > B0 65 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023467874E10, 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 0x0000023467876240, 16 bytes long.
 Data: <&#200;&#142;&#134;g4           > C8 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002346786FA90, 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 0x00000234678757F0, 16 bytes long.
 Data: <&#160;&#142;&#134;g4           > A0 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023467875BB0, 16 bytes long.
 Data: <x&#142;&#134;g4           > 78 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023467875930, 16 bytes long.
 Data: <P&#142;&#134;g4           > 50 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234678757A0, 16 bytes long.
 Data: <(&#142;&#134;g4           > 28 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023467875750, 16 bytes long.
 Data: < &#142;&#134;g4           > 00 8E 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000234678754D0, 16 bytes long.
 Data: <&#216; &#134;g4           > D8 8D 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023467870510, 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 0x00000234678761F0, 16 bytes long.
 Data: <&#176; &#134;g4           > B0 8D 86 67 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023467868DB0, 320 bytes long.
 Data: <&#240;a&#135;g4     &#135;g4   > F0 61 87 67 34 02 00 00 10 05 87 67 34 02 00 00 
{276} normal block at 0x0000023467875700, 16 bytes long.
 Data: < e&#135;g4           > 90 65 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023467876010, 16 bytes long.
 Data: <he&#135;g4           > 68 65 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002346786F850, 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 0x0000023467875FC0, 16 bytes long.
 Data: <@e&#135;g4           > 40 65 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002346786FFD0, 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 0x0000023467875610, 16 bytes long.
 Data: < d&#135;g4           > 88 64 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023467875D90, 16 bytes long.
 Data: <`d&#135;g4           > 60 64 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023467875CA0, 16 bytes long.
 Data: <8d&#135;g4           > 38 64 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234678756B0, 16 bytes long.
 Data: < d&#135;g4           > 10 64 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023467875480, 16 bytes long.
 Data: <&#232;c&#135;g4           > E8 63 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000234678755C0, 16 bytes long.
 Data: <&#192;c&#135;g4           > C0 63 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000234678753E0, 16 bytes long.
 Data: < G&#135;g4           > 80 47 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023467874780, 40 bytes long.
 Data: <&#224;S&#135;g4    Noi4   > E0 53 87 67 34 02 00 00 80 4E 6F 69 34 02 00 00 
{262} normal block at 0x0000023467875660, 16 bytes long.
 Data: <&#160;c&#135;g4           > A0 63 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023467875980, 16 bytes long.
 Data: <xc&#135;g4           > 78 63 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002346786FA30, 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 0x00000234678760B0, 16 bytes long.
 Data: <Pc&#135;g4           > 50 63 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023467876350, 992 bytes long.
 Data: <&#176;`&#135;g4   0&#250;&#134;g4   > B0 60 87 67 34 02 00 00 30 FA 86 67 34 02 00 00 
{94} normal block at 0x00000234678700F0, 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 0x000002346786F2E0, 16 bytes long.
 Data: < N&#135;g4           > 80 4E 87 67 34 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023467874E80, 40 bytes long.
 Data: <&#224;&#242;&#134;g4   &#240; &#135;g4   > E0 F2 86 67 34 02 00 00 F0 00 87 67 34 02 00 00 
{71} normal block at 0x000002346786EC50, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002346786ECA0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002346786F010, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002346786F240, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002346786F6F0, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002346786F060, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002346786F420, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002346786F790, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002346786F3D0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002346786EB60, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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