Task 38674407

Name test_87-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9344_1
Workunit 31612829
Created 26 Oct 2026, 5:12:15 UTC
Sent 26 Oct 2026, 5:12:18 UTC
Report deadline 31 Oct 2026, 5:12:18 UTC
Received 26 Oct 2026, 6:55:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648461
Run time 38 min 14 sec
CPU time 35 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.36 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:18:29 (18604): wrapper (7.9.26016): starting
02:18:29 (18604): 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
02:18:30 (18604): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:18:30 (18604): 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\31\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\31\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
02:55:30 (18604): C:/Windows/system32/cmd.exe exited; CPU time 2134.546875
02:55:30 (18604): 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: 43926076 bytes.
Dumping objects ->
{3835291} normal block at 0x00000140147035E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000014014703490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000140147033B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835258} normal block at 0x0000014014702E70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000014014703340, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835216} normal block at 0x00000140146FA120, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001401661EC50, 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) : {3835202} normal block at 0x000001401470A100, 8 bytes long.
 Data: <  h @   > 00 00 68 14 40 01 00 00 
{3834578} normal block at 0x000001401661E390, 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 0x0000014014709840, 8 bytes long.
 Data: <0&#251;a @   > 30 FB 61 16 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000140146F6290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000140146B7C50, 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 0x0000014014709890, 16 bytes long.
 Data: < &#145;p @           > 08 91 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014014709D40, 16 bytes long.
 Data: <&#224; p @           > E0 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000014014700B90, 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 0x00000140147097F0, 16 bytes long.
 Data: <&#184; p @           > B8 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014014709390, 16 bytes long.
 Data: <  p @           > 90 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014014709700, 16 bytes long.
 Data: <h p @           > 68 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014014705650, 16 bytes long.
 Data: <@ p @           > 40 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014014702A10, 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 0x0000014014705830, 16 bytes long.
 Data: <x&#230;l @           > 78 E6 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014014700FB0, 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 0x0000014014705600, 16 bytes long.
 Data: <P&#230;l @           > 50 E6 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014014705010, 16 bytes long.
 Data: <(&#230;l @           > 28 E6 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014014704F70, 16 bytes long.
 Data: < &#230;l @           > 00 E6 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000140147057E0, 16 bytes long.
 Data: <&#216;&#229;l @           > D8 E5 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014014705740, 16 bytes long.
 Data: <&#176;&#229;l @           > B0 E5 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014014705420, 16 bytes long.
 Data: < &#229;l @           > 88 E5 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014014700E30, 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 0x00000140147051F0, 16 bytes long.
 Data: <`&#229;l @           > 60 E5 6C 14 40 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000140146CE560, 320 bytes long.
 Data: <&#240;Qp @   0 p @   > F0 51 70 14 40 01 00 00 30 0E 70 14 40 01 00 00 
{281} normal block at 0x0000014014704F20, 16 bytes long.
 Data: <  p @           > 20 90 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014014704FC0, 16 bytes long.
 Data: <&#248; p @           > F8 8F 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014014700BF0, 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 0x00000140147054C0, 16 bytes long.
 Data: <&#208; p @           > D0 8F 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000140147013D0, 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 0x0000014014704ED0, 16 bytes long.
 Data: <  p @           > 18 8F 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000140147051A0, 16 bytes long.
 Data: <&#240;&#142;p @           > F0 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014014704DE0, 16 bytes long.
 Data: <&#200;&#142;p @           > C8 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014014705100, 16 bytes long.
 Data: <&#160;&#142;p @           > A0 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014014704D90, 16 bytes long.
 Data: <x&#142;p @           > 78 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000140147056A0, 16 bytes long.
 Data: <P&#142;p @           > 50 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014014705CE0, 16 bytes long.
 Data: <&#240;1p @           > F0 31 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000140147031F0, 40 bytes long.
 Data: <&#224;\p @    &#161;o @   > E0 5C 70 14 40 01 00 00 20 A1 6F 14 40 01 00 00 
{267} normal block at 0x0000014014705C90, 16 bytes long.
 Data: <0&#142;p @           > 30 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014014705510, 16 bytes long.
 Data: < &#142;p @           > 08 8E 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014014700DD0, 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 0x00000140147053D0, 16 bytes long.
 Data: <&#224; p @           > E0 8D 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014014708DE0, 992 bytes long.
 Data: <&#208;Sp @   &#208; p @   > D0 53 70 14 40 01 00 00 D0 0D 70 14 40 01 00 00 
{99} normal block at 0x0000014014701190, 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 0x00000140147055B0, 16 bytes long.
 Data: < 1p @           > 10 31 70 14 40 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000014014703110, 40 bytes long.
 Data: <&#176;Up @     p @   > B0 55 70 14 40 01 00 00 90 11 70 14 40 01 00 00 
{76} normal block at 0x0000014014705790, 16 bytes long.
 Data: < &#234;&#234;k&#246;           > 80 EA EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000140147050B0, 16 bytes long.
 Data: <@&#233;&#234;k&#246;           > 40 E9 EA 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000014014705B50, 16 bytes long.
 Data: <&#248;W&#231;k&#246;           > F8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000014014705470, 16 bytes long.
 Data: <&#216;W&#231;k&#246;           > D8 57 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000014014705560, 16 bytes long.
 Data: <P &#231;k&#246;           > 50 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000140147058D0, 16 bytes long.
 Data: <0 &#231;k&#246;           > 30 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014014705240, 16 bytes long.
 Data: <&#224; &#231;k&#246;           > E0 02 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014014704E80, 16 bytes long.
 Data: <  &#231;k&#246;           > 10 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014014704E30, 16 bytes long.
 Data: <p &#231;k&#246;           > 70 04 E7 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014014705B00, 16 bytes long.
 Data: < &#192;&#229;k&#246;           > 18 C0 E5 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra