Task 38678639

Name test_215-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1937_0
Workunit 31620450
Created 26 Oct 2026, 18:02:05 UTC
Sent 26 Oct 2026, 18:02:09 UTC
Report deadline 31 Oct 2026, 18:02:09 UTC
Received 26 Oct 2026, 18:30:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 27 min 6 sec
CPU time 20 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.71 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:03:52 (6812): wrapper (7.9.26016): starting
13:03:52 (6812): 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
13:03:53 (6812): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:03:53 (6812): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:30:13 (6812): C:/Windows/system32/cmd.exe exited; CPU time 1237.015625
13:30:13 (6812): 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: 24682423 bytes.
Dumping objects ->
{3835550} normal block at 0x0000023D27735370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000023D27735060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x0000023D27735760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x0000023D277354C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000023D277356F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x0000023D2954B780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000023D295AD5B0, 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) : {3835461} normal block at 0x0000023D2772E9E0, 8 bytes long.
 Data: <  &#221;'=   > 00 00 DD 27 3D 02 00 00 
{3834683} normal block at 0x0000023D295AD870, 102 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 0x0000023D2772EE40, 8 bytes long.
 Data: <`&#220; '=   > 60 DC 80 27 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023D2771F470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023D277261D0, 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 0x0000023D277349F0, 16 bytes long.
 Data: < Os'=           > 18 4F 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D27733EB0, 16 bytes long.
 Data: <&#240;Ns'=           > F0 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023D2772FEC0, 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 0x0000023D277340E0, 16 bytes long.
 Data: <&#200;Ns'=           > C8 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023D27734630, 16 bytes long.
 Data: <&#160;Ns'=           > A0 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023D277346D0, 16 bytes long.
 Data: <xNs'=           > 78 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D27734090, 16 bytes long.
 Data: <PNs'=           > 50 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023D27735610, 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 0x0000023D27733E10, 16 bytes long.
 Data: <&#248; r'=           > F8 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D27730400, 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 0x0000023D277349A0, 16 bytes long.
 Data: <&#208; r'=           > D0 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023D27733E60, 16 bytes long.
 Data: <&#168; r'=           > A8 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D27734A90, 16 bytes long.
 Data: <  r'=           > 80 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023D27734680, 16 bytes long.
 Data: <X r'=           > 58 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023D27734950, 16 bytes long.
 Data: <0 r'=           > 30 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D27734220, 16 bytes long.
 Data: <  r'=           > 08 90 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023D277303A0, 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 0x0000023D27734900, 16 bytes long.
 Data: <&#224; r'=           > E0 8F 72 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023D27728FE0, 320 bytes long.
 Data: < Is'=   &#160; s'=   > 00 49 73 27 3D 02 00 00 A0 03 73 27 3D 02 00 00 
{273} normal block at 0x0000023D27734A40, 16 bytes long.
 Data: <0Ns'=           > 30 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D27733D20, 16 bytes long.
 Data: < Ns'=           > 08 4E 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023D2772F740, 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 0x0000023D27733FA0, 16 bytes long.
 Data: <&#224;Ms'=           > E0 4D 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D27730580, 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 0x0000023D27734860, 16 bytes long.
 Data: <(Ms'=           > 28 4D 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D27734810, 16 bytes long.
 Data: < Ms'=           > 00 4D 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D277347C0, 16 bytes long.
 Data: <&#216;Ls'=           > D8 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023D27733C80, 16 bytes long.
 Data: <&#176;Ls'=           > B0 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D277343B0, 16 bytes long.
 Data: < Ls'=           > 88 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023D27734040, 16 bytes long.
 Data: <`Ls'=           > 60 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D27734360, 16 bytes long.
 Data: <`&#210;q'=           > 60 D2 71 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023D2771D260, 40 bytes long.
 Data: <`Cs'=    &#183;T)=   > 60 43 73 27 3D 02 00 00 80 B7 54 29 3D 02 00 00 
{259} normal block at 0x0000023D27734310, 16 bytes long.
 Data: <@Ls'=           > 40 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023D277348B0, 16 bytes long.
 Data: < Ls'=           > 18 4C 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023D27730340, 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 0x0000023D27734B80, 16 bytes long.
 Data: <&#240;Ks'=           > F0 4B 73 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023D27734BF0, 992 bytes long.
 Data: < Ks'=   @ s'=   > 80 4B 73 27 3D 02 00 00 40 03 73 27 3D 02 00 00 
{91} normal block at 0x0000023D2772FB60, 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 0x0000023D2772F2A0, 16 bytes long.
 Data: <p&#198;q'=           > 70 C6 71 27 3D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000023D2771C670, 40 bytes long.
 Data: <&#160;&#242;r'=   `&#251;r'=   > A0 F2 72 27 3D 02 00 00 60 FB 72 27 3D 02 00 00 
{68} normal block at 0x0000023D2772F200, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D2772F1B0, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D2772ED00, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D2772E6C0, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D2772EDF0, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D2772EEE0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023D2772F570, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023D2772E670, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023D2772EDA0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023D2772EAD0, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra