Task 38669085

Name test_922-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9923_0
Workunit 31611480
Created 25 Oct 2026, 13:35:24 UTC
Sent 25 Oct 2026, 13:35:29 UTC
Report deadline 30 Oct 2026, 13:35:29 UTC
Received 25 Oct 2026, 14:23:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 21 min 50 sec
CPU time 19 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.95 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:47:06 (44512): wrapper (7.9.26016): starting
08:47:06 (44512): 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
08:47:07 (44512): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:07 (44512): 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\24\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\24\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
09:07:53 (44512): C:/Windows/system32/cmd.exe exited; CPU time 1158.343750
09:07:53 (44512): 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: 26762751 bytes.
Dumping objects ->
{3835497} normal block at 0x0000021600505810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000021600505110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000021600505730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x00000216005056C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x00000216005055E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x0000021602167AF0, 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) : {3835409} normal block at 0x0000021600500BE0, 8 bytes long.
 Data: <  J     > 00 00 4A 00 16 02 00 00 
{3833969} normal block at 0x0000021600500780, 8 bytes long.
 Data: <&#192;F      > C0 46 1C 02 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000021600501F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000216004F6C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000216005069F0, 16 bytes long.
 Data: < pP             > 08 70 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021600505D20, 16 bytes long.
 Data: <&#224;oP             > E0 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000216004FDEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000021600506900, 16 bytes long.
 Data: <&#184;oP             > B8 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021600506090, 16 bytes long.
 Data: < oP             > 90 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000216005062C0, 16 bytes long.
 Data: <hoP             > 68 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021600506180, 16 bytes long.
 Data: <@oP             > 40 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000216005052D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000021600506270, 16 bytes long.
 Data: <X&#235;N             > 58 EB 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000216004FE2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000021600506450, 16 bytes long.
 Data: <0&#235;N             > 30 EB 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000216005066D0, 16 bytes long.
 Data: < &#235;N             > 08 EB 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021600506C20, 16 bytes long.
 Data: <&#224;&#234;N             > E0 EA 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000216005064F0, 16 bytes long.
 Data: <&#184;&#234;N             > B8 EA 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021600506680, 16 bytes long.
 Data: < &#234;N             > 90 EA 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021600506BD0, 16 bytes long.
 Data: <h&#234;N             > 68 EA 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000216004FE820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000021600506950, 16 bytes long.
 Data: <@&#234;N             > 40 EA 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000216004EEA40, 320 bytes long.
 Data: <PiP      &#232;O     > 50 69 50 00 16 02 00 00 20 E8 4F 00 16 02 00 00 
{280} normal block at 0x00000216005069A0, 16 bytes long.
 Data: < oP             > 20 6F 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000216005064A0, 16 bytes long.
 Data: <&#248;nP             > F8 6E 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000216004FDE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000216005065E0, 16 bytes long.
 Data: <&#208;nP             > D0 6E 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000216004FDDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000021600506C70, 16 bytes long.
 Data: < nP             > 18 6E 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021600506B80, 16 bytes long.
 Data: <&#240;mP             > F0 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021600506130, 16 bytes long.
 Data: <&#200;mP             > C8 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021600505D70, 16 bytes long.
 Data: <&#160;mP             > A0 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021600506220, 16 bytes long.
 Data: <xmP             > 78 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021600505F00, 16 bytes long.
 Data: <PmP             > 50 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021600505F50, 16 bytes long.
 Data: <`RP             > 60 52 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021600505260, 40 bytes long.
 Data: <P_P     &#240;z      > 50 5F 50 00 16 02 00 00 F0 7A 16 02 16 02 00 00 
{266} normal block at 0x0000021600506360, 16 bytes long.
 Data: <0mP             > 30 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000216005060E0, 16 bytes long.
 Data: < mP             > 08 6D 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000216004FDA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000021600506630, 16 bytes long.
 Data: <&#224;lP             > E0 6C 50 00 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021600506CE0, 992 bytes long.
 Data: <0fP     @&#218;O     > 30 66 50 00 16 02 00 00 40 DA 4F 00 16 02 00 00 
{98} normal block at 0x00000216004FE640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000021600500AF0, 16 bytes long.
 Data: <@&#200;N             > 40 C8 4E 00 16 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000216004EC840, 40 bytes long.
 Data: <&#240; P     @&#230;O     > F0 0A 50 00 16 02 00 00 40 E6 4F 00 16 02 00 00 
{75} normal block at 0x0000021600500140, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021600500230, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000216005001E0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000216004FFCE0, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021600500730, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021600500320, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021600500370, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000216005006E0, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000216005004B0, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021600500190, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra