Task 38682245

Name test_409-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8877_0
Workunit 31623871
Created 27 Oct 2026, 7:06:54 UTC
Sent 27 Oct 2026, 7:07:01 UTC
Report deadline 1 Nov 2026, 7:07:01 UTC
Received 27 Oct 2026, 7:37:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 26 min 41 sec
CPU time 25 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.36 MB
Peak swap size 9.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:08:41 (21412): wrapper (7.9.26016): starting
03:08:41 (21412): 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
03:08:43 (21412): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:08:43 (21412): 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\1\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\1\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
03:34:42 (21412): C:/Windows/system32/cmd.exe exited; CPU time 1511.015625
03:34:42 (21412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23738277 bytes.
Dumping objects ->
{3835280} normal block at 0x00000173B5974B80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000173B5974B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000173B59746B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000173B5974AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000173B5974BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000173B76FA6E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000173B59CD2D0, 140 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) : {3835191} normal block at 0x00000173B596EA70, 8 bytes long.
 Data: <  &#249;&#181;s   > 00 00 F9 B5 73 01 00 00 
{3834567} normal block at 0x00000173B59CD130, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000173B596EE80, 8 bytes long.
 Data: <` a&#183;s   > 60 18 61 B7 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000173B5970EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000173B5966870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000173B5975A20, 16 bytes long.
 Data: <&#216;S&#151;&#181;s           > D8 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173B5976240, 16 bytes long.
 Data: <&#176;S&#151;&#181;s           > B0 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000173B596F900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000173B5975700, 16 bytes long.
 Data: < S&#151;&#181;s           > 88 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173B59757A0, 16 bytes long.
 Data: <`S&#151;&#181;s           > 60 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000173B5975CF0, 16 bytes long.
 Data: <8S&#151;&#181;s           > 38 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000173B5975C50, 16 bytes long.
 Data: < S&#151;&#181;s           > 10 53 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000173B59744F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000173B5975F20, 16 bytes long.
 Data: <  &#150;&#181;s           > 18 8F 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000173B596F7E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000173B59763D0, 16 bytes long.
 Data: <&#240;&#142;&#150;&#181;s           > F0 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173B5975A70, 16 bytes long.
 Data: <&#200;&#142;&#150;&#181;s           > C8 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000173B59760B0, 16 bytes long.
 Data: <&#160;&#142;&#150;&#181;s           > A0 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173B59762E0, 16 bytes long.
 Data: <x&#142;&#150;&#181;s           > 78 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173B5975890, 16 bytes long.
 Data: <P&#142;&#150;&#181;s           > 50 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173B5975520, 16 bytes long.
 Data: <(&#142;&#150;&#181;s           > 28 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000173B596F840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000173B59755C0, 16 bytes long.
 Data: < &#142;&#150;&#181;s           > 00 8E 96 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000173B5968E00, 320 bytes long.
 Data: <&#192;U&#151;&#181;s   @&#248;&#150;&#181;s   > C0 55 97 B5 73 01 00 00 40 F8 96 B5 73 01 00 00 
{273} normal block at 0x00000173B5975E30, 16 bytes long.
 Data: <&#240;R&#151;&#181;s           > F0 52 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173B5975ED0, 16 bytes long.
 Data: <&#200;R&#151;&#181;s           > C8 52 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000173B596FBA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000173B59759D0, 16 bytes long.
 Data: <&#160;R&#151;&#181;s           > A0 52 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000173B596FFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000173B59761F0, 16 bytes long.
 Data: <&#232;Q&#151;&#181;s           > E8 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000173B5975660, 16 bytes long.
 Data: <&#192;Q&#151;&#181;s           > C0 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173B5976290, 16 bytes long.
 Data: < Q&#151;&#181;s           > 98 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000173B5976470, 16 bytes long.
 Data: <pQ&#151;&#181;s           > 70 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000173B5975E80, 16 bytes long.
 Data: <HQ&#151;&#181;s           > 48 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173B596EF70, 16 bytes long.
 Data: < Q&#151;&#181;s           > 20 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000173B596EF20, 16 bytes long.
 Data: <&#192;I&#151;&#181;s           > C0 49 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000173B59749C0, 40 bytes long.
 Data: < &#239;&#150;&#181;s   &#224;&#166;o&#183;s   > 20 EF 96 B5 73 01 00 00 E0 A6 6F B7 73 01 00 00 
{259} normal block at 0x00000173B596EE30, 16 bytes long.
 Data: < Q&#151;&#181;s           > 00 51 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000173B596ED90, 16 bytes long.
 Data: <&#216;P&#151;&#181;s           > D8 50 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000173B596FB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000173B596ED40, 16 bytes long.
 Data: <&#176;P&#151;&#181;s           > B0 50 97 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000173B59750B0, 992 bytes long.
 Data: <@&#237;&#150;&#181;s   @&#251;&#150;&#181;s   > 40 ED 96 B5 73 01 00 00 40 FB 96 B5 73 01 00 00 
{91} normal block at 0x00000173B59700E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000173B596E9D0, 16 bytes long.
 Data: < &#198;&#149;&#181;s           > 90 C6 95 B5 73 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000173B595C690, 40 bytes long.
 Data: <&#208;&#233;&#150;&#181;s   &#224; &#151;&#181;s   > D0 E9 96 B5 73 01 00 00 E0 00 97 B5 73 01 00 00 
{68} normal block at 0x00000173B596EA20, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000173B596E660, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000173B596E930, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000173B596F060, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173B596EC50, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000173B596F240, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000173B596F1F0, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000173B596E980, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000173B596E570, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000173B596F380, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra