Task 38675271

Name test_972-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9530_1
Workunit 31617165
Created 26 Oct 2026, 7:46:33 UTC
Sent 26 Oct 2026, 7:46:39 UTC
Report deadline 31 Oct 2026, 7:46:39 UTC
Received 26 Oct 2026, 10:16:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 51 min 17 sec
CPU time 46 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 460.37 MB
Peak swap size 6.88 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:25:09 (36604): wrapper (7.9.26016): starting
03:25:09 (36604): 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
03:25:11 (36604): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:25:11 (36604): 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
04:15:11 (36604): C:/Windows/system32/cmd.exe exited; CPU time 2799.140625
04:15:11 (36604): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 70862603 bytes.
Dumping objects ->
{3835490} normal block at 0x0000022590B55220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000022590B551B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000022590B55370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000022590B55290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000022590B55300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x00000225928272C0, 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) : {3835402} normal block at 0x0000022590B4DFD0, 8 bytes long.
 Data: <  &#248; %   > 00 00 F8 90 25 02 00 00 
{3833961} normal block at 0x0000022590B4E110, 8 bytes long.
 Data: <&#208;V &#146;%   > D0 56 88 92 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022590B518B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022590B46A10, 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 0x0000022590B56600, 16 bytes long.
 Data: <Xr&#181; %           > 58 72 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022590B567E0, 16 bytes long.
 Data: <0r&#181; %           > 30 72 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022590B4F840, 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 0x0000022590B56330, 16 bytes long.
 Data: < r&#181; %           > 08 72 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022590B56A10, 16 bytes long.
 Data: <&#224;q&#181; %           > E0 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022590B561F0, 16 bytes long.
 Data: <&#184;q&#181; %           > B8 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022590B56B00, 16 bytes long.
 Data: < q&#181; %           > 90 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022590B55760, 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 0x0000022590B56EC0, 16 bytes long.
 Data: <H&#249;&#179; %           > 48 F9 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022590B4F7E0, 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 0x0000022590B569C0, 16 bytes long.
 Data: < &#249;&#179; %           > 20 F9 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022590B56E70, 16 bytes long.
 Data: <&#248;&#248;&#179; %           > F8 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022590B562E0, 16 bytes long.
 Data: <&#208;&#248;&#179; %           > D0 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022590B56AB0, 16 bytes long.
 Data: <&#168;&#248;&#179; %           > A8 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022590B56920, 16 bytes long.
 Data: < &#248;&#179; %           > 80 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022590B565B0, 16 bytes long.
 Data: <X&#248;&#179; %           > 58 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022590B50140, 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 0x0000022590B56060, 16 bytes long.
 Data: <0&#248;&#179; %           > 30 F8 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022590B3F830, 320 bytes long.
 Data: <``&#181; %   @ &#181; %   > 60 60 B5 90 25 02 00 00 40 01 B5 90 25 02 00 00 
{276} normal block at 0x0000022590B568D0, 16 bytes long.
 Data: <pq&#181; %           > 70 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022590B56010, 16 bytes long.
 Data: <Hq&#181; %           > 48 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022590B500E0, 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 0x0000022590B56830, 16 bytes long.
 Data: < q&#181; %           > 20 71 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022590B504A0, 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 0x0000022590B56560, 16 bytes long.
 Data: <hp&#181; %           > 68 70 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022590B561A0, 16 bytes long.
 Data: <@p&#181; %           > 40 70 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022590B56510, 16 bytes long.
 Data: < p&#181; %           > 18 70 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022590B56420, 16 bytes long.
 Data: <&#240;o&#181; %           > F0 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022590B564C0, 16 bytes long.
 Data: <&#200;o&#181; %           > C8 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022590B563D0, 16 bytes long.
 Data: <&#160;o&#181; %           > A0 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022590B56DD0, 16 bytes long.
 Data: < V&#181; %           > 10 56 B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022590B55610, 40 bytes long.
 Data: <&#208;m&#181; %   &#192;r&#130;&#146;%   > D0 6D B5 90 25 02 00 00 C0 72 82 92 25 02 00 00 
{262} normal block at 0x0000022590B56CE0, 16 bytes long.
 Data: < o&#181; %           > 80 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022590B56A60, 16 bytes long.
 Data: <Xo&#181; %           > 58 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022590B50080, 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 0x0000022590B56470, 16 bytes long.
 Data: <0o&#181; %           > 30 6F B5 90 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022590B56F30, 992 bytes long.
 Data: <pd&#181; %     &#181; %   > 70 64 B5 90 25 02 00 00 80 00 B5 90 25 02 00 00 
{94} normal block at 0x0000022590B4FB40, 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 0x0000022590B4E340, 16 bytes long.
 Data: <0&#245;&#179; %           > 30 F5 B3 90 25 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022590B3F530, 40 bytes long.
 Data: <@&#227;&#180; %   @&#251;&#180; %   > 40 E3 B4 90 25 02 00 00 40 FB B4 90 25 02 00 00 
{71} normal block at 0x0000022590B4E200, 16 bytes long.
 Data: < &#234;G*&#246;           > 80 EA 47 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022590B4D9E0, 16 bytes long.
 Data: <@&#233;G*&#246;           > 40 E9 47 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022590B4E7A0, 16 bytes long.
 Data: <&#248;WD*&#246;           > F8 57 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022590B4DE40, 16 bytes long.
 Data: <&#216;WD*&#246;           > D8 57 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022590B4E5C0, 16 bytes long.
 Data: <P D*&#246;           > 50 04 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022590B4E0C0, 16 bytes long.
 Data: <0 D*&#246;           > 30 04 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022590B4DC60, 16 bytes long.
 Data: <&#224; D*&#246;           > E0 02 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022590B4E250, 16 bytes long.
 Data: <  D*&#246;           > 10 04 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022590B4DEE0, 16 bytes long.
 Data: <p D*&#246;           > 70 04 44 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022590B4DC10, 16 bytes long.
 Data: < &#192;B*&#246;           > 18 C0 42 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra