Task 38698471

Name test_318-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8412_0
Workunit 31638990
Created 2 Nov 2026, 15:20:39 UTC
Sent 2 Nov 2026, 15:20:40 UTC
Report deadline 7 Nov 2026, 15:20:40 UTC
Received 2 Nov 2026, 16:17:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 55 min 32 sec
CPU time 49 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.53 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:46 (13340): wrapper (7.9.26016): starting
16:22:46 (13340): 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
16:22:48 (13340): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:22:48 (13340): 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\9\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\9\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
17:16:25 (13340): C:/Windows/system32/cmd.exe exited; CPU time 2983.937500
17:16:25 (13340): 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: 35753193 bytes.
Dumping objects ->
{3835245} normal block at 0x000002B590A50FE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002B590A51C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002B590A510C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002B590A51910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002B590A51C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002B590AFEA50, 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) : {3835157} normal block at 0x000002B58F016EF0, 8 bytes long.
 Data: <  &#255;&#142;&#181;   > 00 00 FF 8E B5 02 00 00 
{3833945} normal block at 0x000002B58F017300, 8 bytes long.
 Data: <0&#209;&#185; &#181;   > 30 D1 B9 90 B5 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002B58F0236F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B58F005C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002B58F025040, 16 bytes long.
 Data: <(Y  &#181;           > 28 59 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B58F0254A0, 16 bytes long.
 Data: < Y  &#181;           > 00 59 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B58F01D590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002B58F025400, 16 bytes long.
 Data: <&#216;X  &#181;           > D8 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B58F024A50, 16 bytes long.
 Data: <&#176;X  &#181;           > B0 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B58F024DC0, 16 bytes long.
 Data: < X  &#181;           > 88 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B58F024F50, 16 bytes long.
 Data: <`X  &#181;           > 60 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B58F01B8F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002B58F024D20, 16 bytes long.
 Data: <&#216;[  &#181;           > D8 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B58F01D2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002B58F024870, 16 bytes long.
 Data: <&#176;[  &#181;           > B0 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B58F024A00, 16 bytes long.
 Data: < [  &#181;           > 88 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B58F0248C0, 16 bytes long.
 Data: <`[  &#181;           > 60 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B58F024C30, 16 bytes long.
 Data: <8[  &#181;           > 38 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B58F025270, 16 bytes long.
 Data: < [  &#181;           > 10 5B 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B58F024F00, 16 bytes long.
 Data: <&#232;Z  &#181;           > E8 5A 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B58F01D1D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002B58F024D70, 16 bytes long.
 Data: <&#192;Z  &#181;           > C0 5A 00 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B58F005AC0, 320 bytes long.
 Data: <pM  &#181;   &#208;&#209;  &#181;   > 70 4D 02 8F B5 02 00 00 D0 D1 01 8F B5 02 00 00 
{268} normal block at 0x000002B58F024FF0, 16 bytes long.
 Data: <@X  &#181;           > 40 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B58F025450, 16 bytes long.
 Data: < X  &#181;           > 18 58 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B58F01D710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002B58F025090, 16 bytes long.
 Data: <&#240;W  &#181;           > F0 57 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B58F01D650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002B58F024CD0, 16 bytes long.
 Data: <8W  &#181;           > 38 57 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B58F0249B0, 16 bytes long.
 Data: < W  &#181;           > 10 57 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B58F024B90, 16 bytes long.
 Data: <&#232;V  &#181;           > E8 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B58F024640, 16 bytes long.
 Data: <&#192;V  &#181;           > C0 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B58F024B40, 16 bytes long.
 Data: < V  &#181;           > 98 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B58F024C80, 16 bytes long.
 Data: <pV  &#181;           > 70 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002B58F024EB0, 16 bytes long.
 Data: < &#184;  &#181;           > 80 B8 01 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B58F01B880, 40 bytes long.
 Data: <&#176;N  &#181;   P&#234;&#175; &#181;   > B0 4E 02 8F B5 02 00 00 50 EA AF 90 B5 02 00 00 
{254} normal block at 0x000002B58F024820, 16 bytes long.
 Data: <PV  &#181;           > 50 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002B58F025360, 16 bytes long.
 Data: <(V  &#181;           > 28 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B58F01D290, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002B58F024AF0, 16 bytes long.
 Data: < V  &#181;           > 00 56 02 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002B58F025600, 992 bytes long.
 Data: <&#240;J  &#181;    &#210;  &#181;   > F0 4A 02 8F B5 02 00 00 90 D2 01 8F B5 02 00 00 
{86} normal block at 0x000002B58F01D6B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002B58F016CC0, 16 bytes long.
 Data: <&#224;&#188;  &#181;           > E0 BC 01 8F B5 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002B58F01BCE0, 40 bytes long.
 Data: <&#192;l  &#181;   &#176;&#214;  &#181;   > C0 6C 01 8F B5 02 00 00 B0 D6 01 8F B5 02 00 00 
{63} normal block at 0x000002B58F0170D0, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B58F0173F0, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B58F017620, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B58F017A30, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B58F016BD0, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B58F0175D0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B58F0179E0, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B58F017260, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002B58F017080, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002B58F016F90, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra