Task 38685945

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5467_0
Workunit 31627398
Created 27 Oct 2026, 23:48:26 UTC
Sent 27 Oct 2026, 23:48:29 UTC
Report deadline 1 Nov 2026, 23:48:29 UTC
Received 28 Oct 2026, 1:31:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 15 sec
CPU time 22 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.49 MB
Peak swap size 6.93 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:07:32 (3996): wrapper (7.9.26016): starting
02:07:32 (3996): 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
02:07:33 (3996): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:07:33 (3996): 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\4\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\4\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
02:30:48 (3996): C:/Windows/system32/cmd.exe exited; CPU time 1378.531250
02:30:48 (3996): 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: 23017571 bytes.
Dumping objects ->
{3835601} normal block at 0x00000271F00A03E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x00000271F00A0060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x00000271F00A01B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x00000271F00A0290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x00000271EE424AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x00000271F0114B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x00000271F012E860, 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) : {3835512} normal block at 0x00000271EE41F2A0, 8 bytes long.
 Data: <  &#147;&#238;q   > 00 00 93 EE 71 02 00 00 
{3834713} normal block at 0x00000271F012E7B0, 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 0x00000271EE41E8A0, 8 bytes long.
 Data: < Y &#240;q   > 90 59 1A F0 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000271EE420A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000271EE416890, 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 0x00000271EE426040, 16 bytes long.
 Data: <hgB&#238;q           > 68 67 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000271EE425D70, 16 bytes long.
 Data: <@gB&#238;q           > 40 67 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000271EE4203D0, 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 0x00000271EE425FA0, 16 bytes long.
 Data: < gB&#238;q           > 18 67 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000271EE425370, 16 bytes long.
 Data: <&#240;fB&#238;q           > F0 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000271EE425F50, 16 bytes long.
 Data: <&#200;fB&#238;q           > C8 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000271EE425820, 16 bytes long.
 Data: <&#160;fB&#238;q           > A0 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000271EE424CE0, 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 0x00000271EE425F00, 16 bytes long.
 Data: < &#230;A&#238;q           > 18 E6 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000271EE4205B0, 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 0x00000271EE4260E0, 16 bytes long.
 Data: <&#240;&#229;A&#238;q           > F0 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000271EE425690, 16 bytes long.
 Data: <&#200;&#229;A&#238;q           > C8 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000271EE425500, 16 bytes long.
 Data: <&#160;&#229;A&#238;q           > A0 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000271EE4252D0, 16 bytes long.
 Data: <x&#229;A&#238;q           > 78 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000271EE425960, 16 bytes long.
 Data: <P&#229;A&#238;q           > 50 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000271EE425FF0, 16 bytes long.
 Data: <(&#229;A&#238;q           > 28 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000271EE420370, 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 0x00000271EE4255A0, 16 bytes long.
 Data: < &#229;A&#238;q           > 00 E5 41 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000271EE41E500, 320 bytes long.
 Data: <&#160;UB&#238;q   p B&#238;q   > A0 55 42 EE 71 02 00 00 70 03 42 EE 71 02 00 00 
{276} normal block at 0x00000271EE425B40, 16 bytes long.
 Data: < fB&#238;q           > 80 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000271EE425E10, 16 bytes long.
 Data: <XfB&#238;q           > 58 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000271EE420310, 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 0x00000271EE426180, 16 bytes long.
 Data: <0fB&#238;q           > 30 66 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000271EE420190, 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 0x00000271EE425AA0, 16 bytes long.
 Data: <xeB&#238;q           > 78 65 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000271EE425AF0, 16 bytes long.
 Data: <PeB&#238;q           > 50 65 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000271EE4256E0, 16 bytes long.
 Data: <(eB&#238;q           > 28 65 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000271EE426220, 16 bytes long.
 Data: < eB&#238;q           > 00 65 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000271EE425730, 16 bytes long.
 Data: <&#216;dB&#238;q           > D8 64 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000271EE425CD0, 16 bytes long.
 Data: <&#176;dB&#238;q           > B0 64 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000271EE4257D0, 16 bytes long.
 Data: <&#192;FB&#238;q           > C0 46 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000271EE4246C0, 40 bytes long.
 Data: <&#208;WB&#238;q    K &#240;q   > D0 57 42 EE 71 02 00 00 80 4B 11 F0 71 02 00 00 
{262} normal block at 0x00000271EE425320, 16 bytes long.
 Data: < dB&#238;q           > 90 64 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000271EE4261D0, 16 bytes long.
 Data: <hdB&#238;q           > 68 64 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000271EE41FE30, 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 0x00000271EE425EB0, 16 bytes long.
 Data: <@dB&#238;q           > 40 64 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000271EE426440, 992 bytes long.
 Data: <&#176;^B&#238;q   0&#254;A&#238;q   > B0 5E 42 EE 71 02 00 00 30 FE 41 EE 71 02 00 00 
{94} normal block at 0x00000271EE4201F0, 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 0x00000271EE41F1B0, 16 bytes long.
 Data: < LB&#238;q           > 00 4C 42 EE 71 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000271EE424C00, 40 bytes long.
 Data: <&#176;&#241;A&#238;q   &#240; B&#238;q   > B0 F1 41 EE 71 02 00 00 F0 01 42 EE 71 02 00 00 
{71} normal block at 0x00000271EE41EC10, 16 bytes long.
 Data: < &#234;z &#246;           > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000271EE41EE90, 16 bytes long.
 Data: <@&#233;z &#246;           > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000271EE41EE40, 16 bytes long.
 Data: <&#248;Ww &#246;           > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000271EE41EDF0, 16 bytes long.
 Data: <&#216;Ww &#246;           > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000271EE41F200, 16 bytes long.
 Data: <P w &#246;           > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000271EE41F610, 16 bytes long.
 Data: <0 w &#246;           > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000271EE41F6B0, 16 bytes long.
 Data: <&#224; w &#246;           > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000271EE41F480, 16 bytes long.
 Data: <  w &#246;           > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000271EE41F070, 16 bytes long.
 Data: <p w &#246;           > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000271EE41E7B0, 16 bytes long.
 Data: < &#192;u &#246;           > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra