Task 38683144

Name test_608-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4661_0
Workunit 31624723
Created 27 Oct 2026, 10:37:05 UTC
Sent 27 Oct 2026, 10:37:12 UTC
Report deadline 1 Nov 2026, 10:37:12 UTC
Received 27 Oct 2026, 11:26:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 32 sec
CPU time 23 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.50 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:02:41 (13964): wrapper (7.9.26016): starting
13:02:41 (13964): 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
13:02:42 (13964): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:02:42 (13964): 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\27\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\27\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
13:26:20 (13964): C:/Windows/system32/cmd.exe exited; CPU time 1396.046875
13:26:20 (13964): 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: 27408081 bytes.
Dumping objects ->
{3835575} normal block at 0x00000234E470ABC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000234E470A3E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x00000234E470A760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x00000234E470A530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000234E46E5390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x00000234E64CAB30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x00000234E474A530, 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) : {3835486} normal block at 0x00000234E46DACC0, 8 bytes long.
 Data: <  &#185;&#228;4   > 00 00 B9 E4 34 02 00 00 
{3834707} normal block at 0x00000234E474A600, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x00000234E46DB6C0, 8 bytes long.
 Data: <`In&#228;4   > 60 49 6E E4 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000234E46E2340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000234E46D71C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x00000234E46E6370, 16 bytes long.
 Data: <Hmn&#228;4           > 48 6D 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000234E46E5E20, 16 bytes long.
 Data: < mn&#228;4           > 20 6D 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000234E46DF4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x00000234E46E61E0, 16 bytes long.
 Data: <&#248;ln&#228;4           > F8 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000234E46E6320, 16 bytes long.
 Data: <&#208;ln&#228;4           > D0 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000234E46E5F60, 16 bytes long.
 Data: <&#168;ln&#228;4           > A8 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000234E46E60A0, 16 bytes long.
 Data: < ln&#228;4           > 80 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000234E46E50F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x00000234E46E5D80, 16 bytes long.
 Data: <&#200;&#244;l&#228;4           > C8 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000234E46DF690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x00000234E46E65A0, 16 bytes long.
 Data: <&#160;&#244;l&#228;4           > A0 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000234E46E6870, 16 bytes long.
 Data: <x&#244;l&#228;4           > 78 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234E46E5D30, 16 bytes long.
 Data: <P&#244;l&#228;4           > 50 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000234E46E5CE0, 16 bytes long.
 Data: <(&#244;l&#228;4           > 28 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000234E46E5C40, 16 bytes long.
 Data: < &#244;l&#228;4           > 00 F4 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000234E46E6640, 16 bytes long.
 Data: <&#216;&#243;l&#228;4           > D8 F3 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000234E46DF270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x00000234E46E6500, 16 bytes long.
 Data: <&#176;&#243;l&#228;4           > B0 F3 6C E4 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000234E46CF3B0, 320 bytes long.
 Data: < en&#228;4   p&#242;m&#228;4   > 00 65 6E E4 34 02 00 00 70 F2 6D E4 34 02 00 00 
{283} normal block at 0x00000234E46E6960, 16 bytes long.
 Data: <`ln&#228;4           > 60 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234E46E6780, 16 bytes long.
 Data: <8ln&#228;4           > 38 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234E46DF1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x00000234E46E5BA0, 16 bytes long.
 Data: < ln&#228;4           > 10 6C 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000234E46DEFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x00000234E46E5BF0, 16 bytes long.
 Data: <Xkn&#228;4           > 58 6B 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000234E46E5C90, 16 bytes long.
 Data: <0kn&#228;4           > 30 6B 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000234E46E5B00, 16 bytes long.
 Data: < kn&#228;4           > 08 6B 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000234E46E67D0, 16 bytes long.
 Data: <&#224;jn&#228;4           > E0 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000234E46E5F10, 16 bytes long.
 Data: <&#184;jn&#228;4           > B8 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000234E46E5EC0, 16 bytes long.
 Data: < jn&#228;4           > 90 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000234E46E6910, 16 bytes long.
 Data: < Tn&#228;4           > 00 54 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000234E46E5400, 40 bytes long.
 Data: < in&#228;4   0&#171;L&#230;4   > 10 69 6E E4 34 02 00 00 30 AB 4C E6 34 02 00 00 
{269} normal block at 0x00000234E46E64B0, 16 bytes long.
 Data: <pjn&#228;4           > 70 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234E46E6820, 16 bytes long.
 Data: <Hjn&#228;4           > 48 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000234E46DEE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x00000234E46E6230, 16 bytes long.
 Data: < jn&#228;4           > 20 6A 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000234E46E6A20, 992 bytes long.
 Data: <0bn&#228;4   P&#238;m&#228;4   > 30 62 6E E4 34 02 00 00 50 EE 6D E4 34 02 00 00 
{101} normal block at 0x00000234E46DEC70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x00000234E46DABD0, 16 bytes long.
 Data: < Sn&#228;4           > 20 53 6E E4 34 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000234E46E5320, 40 bytes long.
 Data: <&#208;&#171;m&#228;4   p&#236;m&#228;4   > D0 AB 6D E4 34 02 00 00 70 EC 6D E4 34 02 00 00 
{78} normal block at 0x00000234E46DB2B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000234E46DB120, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000234E46DAB80, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000234E46DB3A0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000234E46DA8B0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000234E46DA860, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000234E46DAD10, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000234E46DB030, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000234E46DB260, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000234E46DAFE0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra