Task 38682385

Name test_454-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9391_0
Workunit 31624001
Created 27 Oct 2026, 7:37:05 UTC
Sent 27 Oct 2026, 7:37:14 UTC
Report deadline 1 Nov 2026, 7:37:14 UTC
Received 27 Oct 2026, 11:41:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 8 sec
CPU time 1 hours 3 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.16 MB
Peak swap size 12.89 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:36:10 (5952): wrapper (7.9.26016): starting
03:36:10 (5952): 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
03:36:12 (5952): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:36:12 (5952): 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\26\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\26\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
04:39:10 (5952): C:/Windows/system32/cmd.exe exited; CPU time 3804.828125
04:39:10 (5952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 53791138 bytes.
Dumping objects ->
{3835270} normal block at 0x000001BA42250D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001BA422508B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001BA422511E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001BA42251330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001BA42250DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001BA422FB300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001BA422542C0, 85 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) : {3835181} normal block at 0x000001BA40796870, 8 bytes long.
 Data: <  w@&#186;   > 00 00 77 40 BA 01 00 00 
{3834558} normal block at 0x000001BA42254360, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001BA40796460, 8 bytes long.
 Data: <@&#133;9B&#186;   > 40 85 39 42 BA 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BA407A02A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BA407A11A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001BA407A19C0, 16 bytes long.
 Data: < ;z@&#186;           > 18 3B 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BA407A1D30, 16 bytes long.
 Data: <&#240;:z@&#186;           > F0 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BA4079C4E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001BA407A1B00, 16 bytes long.
 Data: <&#200;:z@&#186;           > C8 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BA407A20F0, 16 bytes long.
 Data: <&#160;:z@&#186;           > A0 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BA407A18D0, 16 bytes long.
 Data: <x:z@&#186;           > 78 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BA407A1A60, 16 bytes long.
 Data: <P:z@&#186;           > 50 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BA4079B1B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001BA407A1F10, 16 bytes long.
 Data: < &#181;x@&#186;           > 88 B5 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BA4079CD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001BA407A1BF0, 16 bytes long.
 Data: <`&#181;x@&#186;           > 60 B5 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BA407A16F0, 16 bytes long.
 Data: <8&#181;x@&#186;           > 38 B5 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BA407A1CE0, 16 bytes long.
 Data: < &#181;x@&#186;           > 10 B5 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BA407A16A0, 16 bytes long.
 Data: <&#232;&#180;x@&#186;           > E8 B4 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BA407A1560, 16 bytes long.
 Data: <&#192;&#180;x@&#186;           > C0 B4 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BA407A14C0, 16 bytes long.
 Data: < &#180;x@&#186;           > 98 B4 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BA4079CE40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001BA407A1420, 16 bytes long.
 Data: <p&#180;x@&#186;           > 70 B4 78 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BA4078B470, 320 bytes long.
 Data: <  z@&#186;   @&#206;y@&#186;   > 20 14 7A 40 BA 01 00 00 40 CE 79 40 BA 01 00 00 
{271} normal block at 0x000001BA407A2370, 16 bytes long.
 Data: <0:z@&#186;           > 30 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BA407A1A10, 16 bytes long.
 Data: < :z@&#186;           > 08 3A 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BA4079CB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001BA407A20A0, 16 bytes long.
 Data: <&#224;9z@&#186;           > E0 39 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BA4079C7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001BA407A22D0, 16 bytes long.
 Data: <(9z@&#186;           > 28 39 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BA407A1880, 16 bytes long.
 Data: < 9z@&#186;           > 00 39 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BA407A2320, 16 bytes long.
 Data: <&#216;8z@&#186;           > D8 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BA407A2280, 16 bytes long.
 Data: <&#176;8z@&#186;           > B0 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BA407A1C40, 16 bytes long.
 Data: < 8z@&#186;           > 88 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BA407A1C90, 16 bytes long.
 Data: <`8z@&#186;           > 60 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BA407A1E70, 16 bytes long.
 Data: <@&#177;y@&#186;           > 40 B1 79 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BA4079B140, 40 bytes long.
 Data: <p z@&#186;    &#179;/B&#186;   > 70 1E 7A 40 BA 01 00 00 00 B3 2F 42 BA 01 00 00 
{257} normal block at 0x000001BA407A2050, 16 bytes long.
 Data: <@8z@&#186;           > 40 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BA407A17E0, 16 bytes long.
 Data: < 8z@&#186;           > 18 38 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BA4079D1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001BA407A1B50, 16 bytes long.
 Data: <&#240;7z@&#186;           > F0 37 7A 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001BA407A37F0, 992 bytes long.
 Data: <P z@&#186;   &#160;&#209;y@&#186;   > 50 1B 7A 40 BA 01 00 00 A0 D1 79 40 BA 01 00 00 
{89} normal block at 0x000001BA4079D320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001BA40796A50, 16 bytes long.
 Data: <&#240;&#175;y@&#186;           > F0 AF 79 40 BA 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001BA4079AFF0, 40 bytes long.
 Data: <Pjy@&#186;    &#211;y@&#186;   > 50 6A 79 40 BA 01 00 00 20 D3 79 40 BA 01 00 00 
{66} normal block at 0x000001BA40796000, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BA40795FB0, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BA40796370, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BA40796A00, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BA40796230, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BA40796960, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BA407962D0, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BA40796820, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BA40796280, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BA40796C80, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra