Task 38687925

Name test_136-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5696_0
Workunit 31629296
Created 28 Oct 2026, 10:35:57 UTC
Sent 28 Oct 2026, 10:36:00 UTC
Report deadline 2 Nov 2026, 10:36:00 UTC
Received 28 Oct 2026, 11:21:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 44 min 17 sec
CPU time 40 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.67 MB
Peak swap size 5.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:36:29 (12308): wrapper (7.9.26016): starting
11:36:29 (12308): 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
11:36:34 (12308): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:36:34 (12308): 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\11\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\11\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
12:19:43 (12308): C:/Windows/system32/cmd.exe exited; CPU time 2458.781250
12:19:43 (12308): 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: 35900017 bytes.
Dumping objects ->
{3835282} normal block at 0x000002D94059E580, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000002D94059E890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000002D93E965CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000002D93E966370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000002D93E965F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000002D9405E5D90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002D9405FFA00, 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) : {3835193} normal block at 0x000002D93E95E420, 8 bytes long.
 Data: <  &#216;>&#217;   > 00 00 D8 3E D9 02 00 00 
{3834569} normal block at 0x000002D9405FF740, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002D93E95E1F0, 8 bytes long.
 Data: <p&#235;&#163;>&#217;   > 70 EB A3 3E D9 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002D93E961C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002D93E957030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002D93E966EB0, 16 bytes long.
 Data: <&#184;z&#150;>&#217;           > B8 7A 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D93E966CD0, 16 bytes long.
 Data: < z&#150;>&#217;           > 90 7A 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D93E95F9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002D93E967220, 16 bytes long.
 Data: <hz&#150;>&#217;           > 68 7A 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D93E966D20, 16 bytes long.
 Data: <@z&#150;>&#217;           > 40 7A 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D93E9669B0, 16 bytes long.
 Data: < z&#150;>&#217;           > 18 7A 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D93E966F50, 16 bytes long.
 Data: <&#240;y&#150;>&#217;           > F0 79 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D93E966300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002D93E966E60, 16 bytes long.
 Data: <&#168;&#247;&#149;>&#217;           > A8 F7 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D93E960810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002D93E966820, 16 bytes long.
 Data: < &#247;&#149;>&#217;           > 80 F7 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D93E967540, 16 bytes long.
 Data: <X&#247;&#149;>&#217;           > 58 F7 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D93E967040, 16 bytes long.
 Data: <0&#247;&#149;>&#217;           > 30 F7 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D93E9670E0, 16 bytes long.
 Data: < &#247;&#149;>&#217;           > 08 F7 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D93E966D70, 16 bytes long.
 Data: <&#224;&#246;&#149;>&#217;           > E0 F6 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D93E9674F0, 16 bytes long.
 Data: <&#184;&#246;&#149;>&#217;           > B8 F6 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D93E960450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002D93E966C30, 16 bytes long.
 Data: < &#246;&#149;>&#217;           > 90 F6 95 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D93E95F690, 320 bytes long.
 Data: <0l&#150;>&#217;   P &#150;>&#217;   > 30 6C 96 3E D9 02 00 00 50 04 96 3E D9 02 00 00 
{276} normal block at 0x000002D93E9676D0, 16 bytes long.
 Data: <&#208;y&#150;>&#217;           > D0 79 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D93E967400, 16 bytes long.
 Data: <&#168;y&#150;>&#217;           > A8 79 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D93E95FE50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002D93E966BE0, 16 bytes long.
 Data: < y&#150;>&#217;           > 80 79 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D93E9600F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002D93E966B90, 16 bytes long.
 Data: <&#200;x&#150;>&#217;           > C8 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D93E966AA0, 16 bytes long.
 Data: <&#160;x&#150;>&#217;           > A0 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D93E966E10, 16 bytes long.
 Data: <xx&#150;>&#217;           > 78 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D93E967450, 16 bytes long.
 Data: <Px&#150;>&#217;           > 50 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D93E9671D0, 16 bytes long.
 Data: <(x&#150;>&#217;           > 28 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D93E9667D0, 16 bytes long.
 Data: < x&#150;>&#217;           > 00 78 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D93E9674A0, 16 bytes long.
 Data: <&#192;]&#150;>&#217;           > C0 5D 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D93E965DC0, 40 bytes long.
 Data: <&#160;t&#150;>&#217;    ]^@&#217;   > A0 74 96 3E D9 02 00 00 90 5D 5E 40 D9 02 00 00 
{262} normal block at 0x000002D93E967090, 16 bytes long.
 Data: <&#224;w&#150;>&#217;           > E0 77 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D93E967680, 16 bytes long.
 Data: <&#184;w&#150;>&#217;           > B8 77 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D93E95FBB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002D93E966960, 16 bytes long.
 Data: < w&#150;>&#217;           > 90 77 96 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D93E967790, 992 bytes long.
 Data: <`i&#150;>&#217;   &#176;&#251;&#149;>&#217;   > 60 69 96 3E D9 02 00 00 B0 FB 95 3E D9 02 00 00 
{94} normal block at 0x000002D93E95FC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002D93E95EB00, 16 bytes long.
 Data: <&#224;&#239;&#148;>&#217;           > E0 EF 94 3E D9 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002D93E94EFE0, 40 bytes long.
 Data: < &#235;&#149;>&#217;    &#252;&#149;>&#217;   > 00 EB 95 3E D9 02 00 00 10 FC 95 3E D9 02 00 00 
{71} normal block at 0x000002D93E95E830, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002D93E95E1A0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D93E95E970, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D93E95E100, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D93E95E470, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D93E95EF10, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D93E95E0B0, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D93E95EEC0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D93E95E380, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D93E95E240, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra