Task 38687201

Name test_139-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1305_0
Workunit 31628598
Created 28 Oct 2026, 6:30:10 UTC
Sent 28 Oct 2026, 6:30:14 UTC
Report deadline 2 Nov 2026, 6:30:14 UTC
Received 28 Oct 2026, 7:50:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 43 min 42 sec
CPU time 42 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.85 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:06:15 (3788): wrapper (7.9.26016): starting
08:06:15 (3788): 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
08:06:16 (3788): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:16 (3788): 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
08:50:00 (3788): C:/Windows/system32/cmd.exe exited; CPU time 2556.984375
08:50:00 (3788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 36433737 bytes.
Dumping objects ->
{3835361} normal block at 0x0000021015140CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x0000021015140A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x00000210151411E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x00000210151412C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x0000021015141090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x00000210151EE070, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000210151E3520, 141 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) : {3835272} normal block at 0x0000021013698CB0, 8 bytes long.
 Data: <  &#252;     > 00 00 FC 14 10 02 00 00 
{3834603} normal block at 0x00000210151E2DD0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000021013698E40, 8 bytes long.
 Data: <@d-     > 40 64 2D 15 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000210136A33E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021013686020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000210136A4FB0, 16 bytes long.
 Data: < Vj             > 18 56 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000210136A4470, 16 bytes long.
 Data: <&#240;Uj             > F0 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002101369F4E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000210136A4EC0, 16 bytes long.
 Data: <&#200;Uj             > C8 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210136A4CE0, 16 bytes long.
 Data: <&#160;Uj             > A0 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210136A46A0, 16 bytes long.
 Data: <xUj             > 78 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210136A4420, 16 bytes long.
 Data: <PUj             > 50 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002101369D970, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000210136A4C40, 16 bytes long.
 Data: <&#184;_h             > B8 5F 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002101369EDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000210136A50F0, 16 bytes long.
 Data: < _h             > 90 5F 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210136A4A60, 16 bytes long.
 Data: <h_h             > 68 5F 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210136A4A10, 16 bytes long.
 Data: <@_h             > 40 5F 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000210136A48D0, 16 bytes long.
 Data: < _h             > 18 5F 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210136A4330, 16 bytes long.
 Data: <&#240;^h             > F0 5E 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000210136A49C0, 16 bytes long.
 Data: <&#200;^h             > C8 5E 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002101369F720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000210136A4F10, 16 bytes long.
 Data: <&#160;^h             > A0 5E 68 13 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021013685EA0, 320 bytes long.
 Data: < Oj      &#247;i     > 10 4F 6A 13 10 02 00 00 20 F7 69 13 10 02 00 00 
{271} normal block at 0x00000210136A4880, 16 bytes long.
 Data: <0Uj             > 30 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210136A44C0, 16 bytes long.
 Data: < Uj             > 08 55 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002101369F2A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000210136A4970, 16 bytes long.
 Data: <&#224;Tj             > E0 54 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002101369F660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000210136A4C90, 16 bytes long.
 Data: <(Tj             > 28 54 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210136A5050, 16 bytes long.
 Data: < Tj             > 00 54 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000210136A5140, 16 bytes long.
 Data: <&#216;Sj             > D8 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000210136A4830, 16 bytes long.
 Data: <&#176;Sj             > B0 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000210136A4790, 16 bytes long.
 Data: < Sj             > 88 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000210136A4920, 16 bytes long.
 Data: <`Sj             > 60 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000210136A5190, 16 bytes long.
 Data: <&#192;&#218;i             > C0 DA 69 13 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002101369DAC0, 40 bytes long.
 Data: < Qj     p&#224;      > 90 51 6A 13 10 02 00 00 70 E0 1E 15 10 02 00 00 
{257} normal block at 0x00000210136A47E0, 16 bytes long.
 Data: <@Sj             > 40 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000210136A5280, 16 bytes long.
 Data: < Sj             > 18 53 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002101369EC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000210136A5000, 16 bytes long.
 Data: <&#240;Rj             > F0 52 6A 13 10 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000210136A52F0, 992 bytes long.
 Data: < Pj     @&#236;i     > 00 50 6A 13 10 02 00 00 40 EC 69 13 10 02 00 00 
{89} normal block at 0x000002101369EEE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000021013698990, 16 bytes long.
 Data: <&#224;&#217;i             > E0 D9 69 13 10 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002101369D9E0, 40 bytes long.
 Data: < &#137;i     &#224;&#238;i     > 90 89 69 13 10 02 00 00 E0 EE 69 13 10 02 00 00 
{66} normal block at 0x0000021013698850, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021013698580, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021013698530, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021013699200, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000210136991B0, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000210136990C0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021013698800, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021013698940, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021013698FD0, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021013699250, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra