Task 38688583

Name test_479-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND8676_0
Workunit 31629921
Created 28 Oct 2026, 14:55:29 UTC
Sent 28 Oct 2026, 14:55:45 UTC
Report deadline 2 Nov 2026, 14:55:45 UTC
Received 28 Oct 2026, 16:17:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 24 min 2 sec
CPU time 16 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.69 MB
Peak swap size 11.52 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:55:55 (37768): wrapper (7.9.26016): starting
11:55:55 (37768): 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
11:55:56 (37768): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:55:56 (37768): 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\13\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\13\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
12:15:13 (37768): C:/Windows/system32/cmd.exe exited; CPU time 1015.281250
12:15:14 (37768): 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: 22734985 bytes.
Dumping objects ->
{3835525} normal block at 0x000001E617462060, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001E617461FF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001E617461F80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001E617461DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001E617461F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001E6191B42F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001E6174C97D0, 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) : {3835436} normal block at 0x000001E61745D630, 8 bytes long.
 Data: <  &#160; &#230;   > 00 00 A0 17 E6 01 00 00 
{3834686} normal block at 0x000001E6174C98A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001E61745D540, 8 bytes long.
 Data: < &#234;S &#230;   > 10 EA 53 17 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E617464B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E617456080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E617462B30, 16 bytes long.
 Data: <&#248;:F &#230;           > F8 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6174633A0, 16 bytes long.
 Data: <&#208;:F &#230;           > D0 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E61745E5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E617462B80, 16 bytes long.
 Data: <&#168;:F &#230;           > A8 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E617462BD0, 16 bytes long.
 Data: < :F &#230;           > 80 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E617462F40, 16 bytes long.
 Data: <X:F &#230;           > 58 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E617462950, 16 bytes long.
 Data: <0:F &#230;           > 30 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E617462290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E617463300, 16 bytes long.
 Data: <&#216;&#252;D &#230;           > D8 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E61745E2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E617463490, 16 bytes long.
 Data: <&#176;&#252;D &#230;           > B0 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6174629A0, 16 bytes long.
 Data: < &#252;D &#230;           > 88 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E617462810, 16 bytes long.
 Data: <`&#252;D &#230;           > 60 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E617462EF0, 16 bytes long.
 Data: <8&#252;D &#230;           > 38 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E617462E50, 16 bytes long.
 Data: < &#252;D &#230;           > 10 FC 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E617463760, 16 bytes long.
 Data: <&#232;&#251;D &#230;           > E8 FB 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E61745E0A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E617462EA0, 16 bytes long.
 Data: <&#192;&#251;D &#230;           > C0 FB 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E61744FBC0, 320 bytes long.
 Data: <&#160;.F &#230;   &#160;&#224;E &#230;   > A0 2E 46 17 E6 01 00 00 A0 E0 45 17 E6 01 00 00 
{274} normal block at 0x000001E617463710, 16 bytes long.
 Data: < :F &#230;           > 10 3A 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E617463440, 16 bytes long.
 Data: <&#232;9F &#230;           > E8 39 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E61745DFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E617462CC0, 16 bytes long.
 Data: <&#192;9F &#230;           > C0 39 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E61745E520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E617462C70, 16 bytes long.
 Data: < 9F &#230;           > 08 39 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E617463080, 16 bytes long.
 Data: <&#224;8F &#230;           > E0 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E617462D60, 16 bytes long.
 Data: <&#184;8F &#230;           > B8 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6174633F0, 16 bytes long.
 Data: < 8F &#230;           > 90 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E617463530, 16 bytes long.
 Data: <h8F &#230;           > 68 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6174630D0, 16 bytes long.
 Data: <@8F &#230;           > 40 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E617463210, 16 bytes long.
 Data: <&#176;!F &#230;           > B0 21 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6174621B0, 40 bytes long.
 Data: < 2F &#230;   &#240;B  &#230;   > 10 32 46 17 E6 01 00 00 F0 42 1B 19 E6 01 00 00 
{260} normal block at 0x000001E617463350, 16 bytes long.
 Data: < 8F &#230;           > 20 38 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E617462AE0, 16 bytes long.
 Data: <&#248;7F &#230;           > F8 37 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E61745EB80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E6174632B0, 16 bytes long.
 Data: <&#208;7F &#230;           > D0 37 46 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E6174637D0, 992 bytes long.
 Data: <&#176;2F &#230;    &#235;E &#230;   > B0 32 46 17 E6 01 00 00 80 EB 45 17 E6 01 00 00 
{92} normal block at 0x000001E61745DE60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E61745D4F0, 16 bytes long.
 Data: < &#229;D &#230;           > 10 E5 44 17 E6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E61744E510, 40 bytes long.
 Data: <&#240;&#212;E &#230;   `&#222;E &#230;   > F0 D4 45 17 E6 01 00 00 60 DE 45 17 E6 01 00 00 
{69} normal block at 0x000001E61745DB80, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E61745D860, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E61745D450, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E61745DAE0, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E61745D950, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E61745D9F0, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E61745D090, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E61745DA40, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E61745D770, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E61745DC20, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra