Task 38684901

Name test_410-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0092_0
Workunit 31626400
Created 27 Oct 2026, 18:29:11 UTC
Sent 27 Oct 2026, 18:29:15 UTC
Report deadline 1 Nov 2026, 18:29:15 UTC
Received 28 Oct 2026, 6:27:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 557886
Run time 3 hours 30 min 7 sec
CPU time 3 hours 8 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 646.04 MB
Peak swap size 3.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
04:00:01 (3428): wrapper (7.9.26016): starting
04:00:01 (3428): 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
04:00:04 (3428): Library/usr/bin/tar.exe exited; CPU time 0.046875
04:00:04 (3428): 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
07:26:31 (3428): C:/Windows/system32/cmd.exe exited; CPU time 11290.718750
07:26:31 (3428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 149758291 bytes.
Dumping objects ->
{3835663} normal block at 0x000002011BB113A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835652} normal block at 0x000002011BB10ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835641} normal block at 0x000002011BB112C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835630} normal block at 0x000002011BB10990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835619} normal block at 0x000002011BB10CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835588} normal block at 0x000002011BC03EA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835577} normal block at 0x000002011BC1C330, 102 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) : {3835574} normal block at 0x000002011A157230, 8 bytes long.
 Data: <        > 00 00 13 1A 01 02 00 00 
{3834732} normal block at 0x000002011BC1C750, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002011A1570A0, 8 bytes long.
 Data: <`'&#198;     > 60 27 C6 1B 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002011A161610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002011A145E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002011A1632D0, 16 bytes long.
 Data: < 7              > 08 37 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002011A163230, 16 bytes long.
 Data: <&#224;6              > E0 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002011A15D6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002011A163050, 16 bytes long.
 Data: <&#184;6              > B8 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002011A163190, 16 bytes long.
 Data: < 6              > 90 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002011A162EC0, 16 bytes long.
 Data: <h6              > 68 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002011A162D80, 16 bytes long.
 Data: <@6              > 40 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002011A15BA20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002011A1624C0, 16 bytes long.
 Data: <&#216;]              > D8 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002011A15D700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002011A162F60, 16 bytes long.
 Data: <&#176;]              > B0 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002011A162920, 16 bytes long.
 Data: < ]              > 88 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002011A162FB0, 16 bytes long.
 Data: <`]              > 60 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002011A162790, 16 bytes long.
 Data: <8]              > 38 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002011A162D30, 16 bytes long.
 Data: < ]              > 10 5D 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002011A1628D0, 16 bytes long.
 Data: <&#232;\              > E8 5C 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002011A15D7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002011A162BF0, 16 bytes long.
 Data: <&#192;\              > C0 5C 14 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002011A145CC0, 320 bytes long.
 Data: <&#240;+      &#192;&#215;      > F0 2B 16 1A 01 02 00 00 C0 D7 15 1A 01 02 00 00 
{272} normal block at 0x000002011A163140, 16 bytes long.
 Data: < 6              > 20 36 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002011A162BA0, 16 bytes long.
 Data: <&#248;5              > F8 35 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002011A15CE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002011A162E70, 16 bytes long.
 Data: <&#208;5              > D0 35 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002011A15CDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002011A162880, 16 bytes long.
 Data: < 5              > 18 35 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002011A1626F0, 16 bytes long.
 Data: <&#240;4              > F0 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002011A1631E0, 16 bytes long.
 Data: <&#200;4              > C8 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002011A162740, 16 bytes long.
 Data: <&#160;4              > A0 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002011A1626A0, 16 bytes long.
 Data: <x4              > 78 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002011A162B00, 16 bytes long.
 Data: <P4              > 50 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002011A162830, 16 bytes long.
 Data: < &#180;              > 00 B4 15 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002011A15B400, 40 bytes long.
 Data: <0(      &#160;>&#192;     > 30 28 16 1A 01 02 00 00 A0 3E C0 1B 01 02 00 00 
{258} normal block at 0x000002011A163000, 16 bytes long.
 Data: <04              > 30 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002011A162DD0, 16 bytes long.
 Data: < 4              > 08 34 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002011A15CBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002011A162C90, 16 bytes long.
 Data: <&#224;3              > E0 33 16 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002011A1633E0, 992 bytes long.
 Data: < ,      &#192;&#203;      > 90 2C 16 1A 01 02 00 00 C0 CB 15 1A 01 02 00 00 
{90} normal block at 0x000002011A15D160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002011A156FB0, 16 bytes long.
 Data: <&#192;&#181;              > C0 B5 15 1A 01 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002011A15B5C0, 40 bytes long.
 Data: <&#176;o      `&#209;      > B0 6F 15 1A 01 02 00 00 60 D1 15 1A 01 02 00 00 
{67} normal block at 0x000002011A156920, 16 bytes long.
 Data: < &#234;@&#230;&#247;           > 80 EA 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002011A157370, 16 bytes long.
 Data: <@&#233;@&#230;&#247;           > 40 E9 40 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002011A1570F0, 16 bytes long.
 Data: <&#248;W=&#230;&#247;           > F8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002011A157000, 16 bytes long.
 Data: <&#216;W=&#230;&#247;           > D8 57 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002011A157050, 16 bytes long.
 Data: <P =&#230;&#247;           > 50 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002011A1566A0, 16 bytes long.
 Data: <0 =&#230;&#247;           > 30 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002011A156BA0, 16 bytes long.
 Data: <&#224; =&#230;&#247;           > E0 02 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002011A156B00, 16 bytes long.
 Data: <  =&#230;&#247;           > 10 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002011A156650, 16 bytes long.
 Data: <p =&#230;&#247;           > 70 04 3D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002011A156E20, 16 bytes long.
 Data: < &#192;;&#230;&#247;           > 18 C0 3B E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra