Task 38670921

Name test_134-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7648_0
Workunit 31613145
Created 25 Oct 2026, 18:58:26 UTC
Sent 25 Oct 2026, 18:58:28 UTC
Report deadline 30 Oct 2026, 18:58:28 UTC
Received 25 Oct 2026, 19:45:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 33 min 15 sec
CPU time 31 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 805.15 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:13:01 (26196): wrapper (7.9.26016): starting
21:13:01 (26196): 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
21:13:02 (26196): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:13:02 (26196): 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
21:45:15 (26196): C:/Windows/system32/cmd.exe exited; CPU time 1879.468750
21:45:15 (26196): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 54568087 bytes.
Dumping objects ->
{3835491} normal block at 0x0000020C67FB4AC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000020C67FB4C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000020C67FB5070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000020C661E4E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000020C661E52D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000020C67F562F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835403} normal block at 0x0000020C661DD4E0, 8 bytes long.
 Data: <   f    > 00 00 17 66 0C 02 00 00 
{3833963} normal block at 0x0000020C661DDD00, 8 bytes long.
 Data: <&#160;8&#251;g    > A0 38 FB 67 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020C661E1560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020C661D6D10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000020C661E6A30, 16 bytes long.
 Data: <&#200;m f            > C8 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C661E5C20, 16 bytes long.
 Data: <&#160;m f            > A0 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C661DF290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000020C661E5E00, 16 bytes long.
 Data: <xm f            > 78 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C661E5B80, 16 bytes long.
 Data: <Pm f            > 50 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C661E5D10, 16 bytes long.
 Data: <(m f            > 28 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C661E5CC0, 16 bytes long.
 Data: < m f            > 00 6D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C661E5260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000020C661E6030, 16 bytes long.
 Data: <(&#147; f            > 28 93 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C661E0070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000020C661E60D0, 16 bytes long.
 Data: < &#147; f            > 00 93 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C661E5C70, 16 bytes long.
 Data: <&#216;&#146; f            > D8 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C661E6120, 16 bytes long.
 Data: <&#176;&#146; f            > B0 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C661E65D0, 16 bytes long.
 Data: < &#146; f            > 88 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C661E67B0, 16 bytes long.
 Data: <`&#146; f            > 60 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C661E6260, 16 bytes long.
 Data: <8&#146; f            > 38 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C661DF3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000020C661E6800, 16 bytes long.
 Data: < &#146; f            > 10 92 1D 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C661D9210, 320 bytes long.
 Data: < h f    &#176;&#243; f    > 00 68 1E 66 0C 02 00 00 B0 F3 1D 66 0C 02 00 00 
{277} normal block at 0x0000020C661E5F90, 16 bytes long.
 Data: <&#224;l f            > E0 6C 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C661E6580, 16 bytes long.
 Data: <&#184;l f            > B8 6C 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C661DF530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000020C661E5B30, 16 bytes long.
 Data: < l f            > 90 6C 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C661DFFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000020C661E61C0, 16 bytes long.
 Data: <&#216;k f            > D8 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C661E6080, 16 bytes long.
 Data: <&#176;k f            > B0 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C661E5F40, 16 bytes long.
 Data: < k f            > 88 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C661E6850, 16 bytes long.
 Data: <`k f            > 60 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C661E6990, 16 bytes long.
 Data: <8k f            > 38 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C661E6170, 16 bytes long.
 Data: < k f            > 10 6B 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C661E5BD0, 16 bytes long.
 Data: < T f            > 20 54 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C661E5420, 40 bytes long.
 Data: <&#208;[ f    &#240;b&#245;g    > D0 5B 1E 66 0C 02 00 00 F0 62 F5 67 0C 02 00 00 
{263} normal block at 0x0000020C661E6210, 16 bytes long.
 Data: <&#240;j f            > F0 6A 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C661E5FE0, 16 bytes long.
 Data: <&#200;j f            > C8 6A 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C661DF710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000020C661E69E0, 16 bytes long.
 Data: <&#160;j f            > A0 6A 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C661E6AA0, 992 bytes long.
 Data: <&#224;i f     &#247; f    > E0 69 1E 66 0C 02 00 00 10 F7 1D 66 0C 02 00 00 
{95} normal block at 0x0000020C661DFE30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000020C661DDD50, 16 bytes long.
 Data: < M f            > 20 4D 1E 66 0C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020C661E4D20, 40 bytes long.
 Data: <P&#221; f    0&#254; f    > 50 DD 1D 66 0C 02 00 00 30 FE 1D 66 0C 02 00 00 
{72} normal block at 0x0000020C661DD6C0, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020C661DDCB0, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020C661DDC60, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C661DDC10, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C661DE070, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C661DDB20, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C661DDBC0, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C661DE020, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C661DDF30, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C661DDA80, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra