Task 38666355

Name test_240-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6254_0
Workunit 31609305
Created 25 Oct 2026, 2:55:55 UTC
Sent 25 Oct 2026, 3:02:47 UTC
Report deadline 30 Oct 2026, 3:02:47 UTC
Received 25 Oct 2026, 4:04:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 58 min 50 sec
CPU time 58 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.91 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
04:09:43 (12560): wrapper (7.9.26016): starting
04:09:43 (12560): 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
04:09:45 (12560): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:09:45 (12560): 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\170\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\170\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
05:04:02 (12560): C:/Windows/system32/cmd.exe exited; CPU time 3530.328125
05:04:02 (12560): 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: 88978963 bytes.
Dumping objects ->
{3835226} normal block at 0x000002287938ABB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002287938B240, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002287938B470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002287938ADE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002287938A980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002287938EBF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002287938F3A0, 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) : {3835137} normal block at 0x0000022879365850, 8 bytes long.
 Data: <  -y(   > 00 00 2D 79 28 02 00 00 
{3834534} normal block at 0x000002287938F880, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000022879365530, 8 bytes long.
 Data: < &#131;4y(   > 90 83 34 79 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000022879344730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022879344EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000022879364C70, 16 bytes long.
 Data: <&#168;&#132;6y(           > A8 84 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000228793653F0, 16 bytes long.
 Data: < &#132;6y(           > 80 84 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002287935AB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000228793654E0, 16 bytes long.
 Data: <X&#132;6y(           > 58 84 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022879365440, 16 bytes long.
 Data: <0&#132;6y(           > 30 84 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022879364C20, 16 bytes long.
 Data: < &#132;6y(           > 08 84 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022879365350, 16 bytes long.
 Data: <&#224;&#131;6y(           > E0 83 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000228793630A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000022879364BD0, 16 bytes long.
 Data: <h&#213;4y(           > 68 D5 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002287935AFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000022879364B30, 16 bytes long.
 Data: <@&#213;4y(           > 40 D5 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022879365710, 16 bytes long.
 Data: < &#213;4y(           > 18 D5 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000228793651C0, 16 bytes long.
 Data: <&#240;&#212;4y(           > F0 D4 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000228793658F0, 16 bytes long.
 Data: <&#200;&#212;4y(           > C8 D4 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022879365260, 16 bytes long.
 Data: <&#160;&#212;4y(           > A0 D4 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022879364D10, 16 bytes long.
 Data: <x&#212;4y(           > 78 D4 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002287935A720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000022879365210, 16 bytes long.
 Data: <P&#212;4y(           > 50 D4 34 79 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002287934D450, 320 bytes long.
 Data: < R6y(    &#167;5y(   > 10 52 36 79 28 02 00 00 20 A7 35 79 28 02 00 00 
{270} normal block at 0x0000022879365A80, 16 bytes long.
 Data: <&#192;&#131;6y(           > C0 83 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022879365580, 16 bytes long.
 Data: < &#131;6y(           > 98 83 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002287935AE40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000022879364B80, 16 bytes long.
 Data: <p&#131;6y(           > 70 83 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002287935AAE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000022879365490, 16 bytes long.
 Data: <&#184;&#130;6y(           > B8 82 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022879365A30, 16 bytes long.
 Data: < &#130;6y(           > 90 82 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000228793659E0, 16 bytes long.
 Data: <h&#130;6y(           > 68 82 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022879365800, 16 bytes long.
 Data: <@&#130;6y(           > 40 82 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022879365170, 16 bytes long.
 Data: < &#130;6y(           > 18 82 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022879365120, 16 bytes long.
 Data: <&#240; 6y(           > F0 81 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022879364F90, 16 bytes long.
 Data: <006y(           > 30 30 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022879363030, 40 bytes long.
 Data: < O6y(   &#240;&#235;8y(   > 90 4F 36 79 28 02 00 00 F0 EB 38 79 28 02 00 00 
{256} normal block at 0x0000022879365990, 16 bytes long.
 Data: <&#208; 6y(           > D0 81 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022879365080, 16 bytes long.
 Data: <&#168; 6y(           > A8 81 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002287935A9C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000022879365670, 16 bytes long.
 Data: <  6y(           > 80 81 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022879368180, 992 bytes long.
 Data: <pV6y(   &#192;&#169;5y(   > 70 56 36 79 28 02 00 00 C0 A9 35 79 28 02 00 00 
{88} normal block at 0x000002287935B620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000228793656C0, 16 bytes long.
 Data: <P/6y(           > 50 2F 36 79 28 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000022879362F50, 40 bytes long.
 Data: <&#192;V6y(    &#182;5y(   > C0 56 36 79 28 02 00 00 20 B6 35 79 28 02 00 00 
{65} normal block at 0x0000022879359A70, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002287935A470, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022879359980, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002287935A1F0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022879359B10, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002287935A510, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002287935A1A0, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022879359840, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002287935A420, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002287935A150, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra