Task 38680005

Name test_930-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9667_0
Workunit 31621751
Created 26 Oct 2026, 22:28:31 UTC
Sent 26 Oct 2026, 22:28:48 UTC
Report deadline 31 Oct 2026, 22:28:48 UTC
Received 27 Oct 2026, 0:37:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 31 min 47 sec
CPU time 31 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.28 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:05:40 (16368): wrapper (7.9.26016): starting
19:05:40 (16368): 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
19:05:42 (16368): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:05:42 (16368): 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
19:36:45 (16368): C:/Windows/system32/cmd.exe exited; CPU time 1871.640625
19:36:45 (16368): 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: 25956969 bytes.
Dumping objects ->
{3835231} normal block at 0x0000021904DFC2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000021904DFC8F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000021904DFC340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000219032045F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000021903204580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000021904E44FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000021904E5EB50, 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) : {3835142} normal block at 0x00000219031FEB50, 8 bytes long.
 Data: <        > 00 00 1C 03 19 02 00 00 
{3834540} normal block at 0x0000021904E5E680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000219031FEDD0, 8 bytes long.
 Data: < &#174;"     > 80 AE 22 03 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021903200BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219031EF5A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021903205F60, 16 bytes long.
 Data: < c              > 98 63 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021903205240, 16 bytes long.
 Data: <pc              > 70 63 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219031FFBD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021903205880, 16 bytes long.
 Data: <Hc              > 48 63 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021903205EC0, 16 bytes long.
 Data: < c              > 20 63 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021903205F10, 16 bytes long.
 Data: <&#248;b              > F8 62 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021903205BF0, 16 bytes long.
 Data: <&#208;b              > D0 62 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021903204BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021903205E70, 16 bytes long.
 Data: <&#184;&#181;              > B8 B5 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000219032002F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021903205380, 16 bytes long.
 Data: < &#181;              > 90 B5 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219032059C0, 16 bytes long.
 Data: <h&#181;              > 68 B5 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021903205970, 16 bytes long.
 Data: <@&#181;              > 40 B5 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219032051F0, 16 bytes long.
 Data: < &#181;              > 18 B5 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219032052E0, 16 bytes long.
 Data: <&#240;&#180;              > F0 B4 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021903205BA0, 16 bytes long.
 Data: <&#200;&#180;              > C8 B4 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000219032001D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021903205420, 16 bytes long.
 Data: <&#160;&#180;              > A0 B4 1E 03 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219031EB4A0, 320 bytes long.
 Data: < T      &#208;       > 20 54 20 03 19 02 00 00 D0 01 20 03 19 02 00 00 
{275} normal block at 0x0000021903205DD0, 16 bytes long.
 Data: <&#176;b              > B0 62 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021903205830, 16 bytes long.
 Data: < b              > 88 62 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219031FF930, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021903205D80, 16 bytes long.
 Data: <`b              > 60 62 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219031FF8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021903205100, 16 bytes long.
 Data: <&#168;a              > A8 61 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021903205510, 16 bytes long.
 Data: < a              > 80 61 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021903206000, 16 bytes long.
 Data: <Xa              > 58 61 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219032051A0, 16 bytes long.
 Data: <0a              > 30 61 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021903205150, 16 bytes long.
 Data: < a              > 08 61 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219032058D0, 16 bytes long.
 Data: <&#224;`              > E0 60 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021903205E20, 16 bytes long.
 Data: <0K              > 30 4B 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021903204B30, 40 bytes long.
 Data: < ^      &#192;O&#228;     > 20 5E 20 03 19 02 00 00 C0 4F E4 04 19 02 00 00 
{261} normal block at 0x0000021903205D30, 16 bytes long.
 Data: <&#192;`              > C0 60 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021903205CE0, 16 bytes long.
 Data: < `              > 98 60 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000219031FFC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021903205740, 16 bytes long.
 Data: <p`              > 70 60 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021903206070, 992 bytes long.
 Data: <@W      0&#252;      > 40 57 20 03 19 02 00 00 30 FC 1F 03 19 02 00 00 
{93} normal block at 0x00000219031FF750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000219031FF370, 16 bytes long.
 Data: < I              > 00 49 20 03 19 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021903204900, 40 bytes long.
 Data: <p&#243;      P&#247;      > 70 F3 1F 03 19 02 00 00 50 F7 1F 03 19 02 00 00 
{70} normal block at 0x00000219031FF230, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219031FEBF0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219031FEF60, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219031FEEC0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219031FE740, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219031FF0F0, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219031FE920, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219031FE560, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000219031FF320, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000219031FE6A0, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra