Task 38681018

Name test_537-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8487_0
Workunit 31622707
Created 27 Oct 2026, 2:16:26 UTC
Sent 27 Oct 2026, 2:16:36 UTC
Report deadline 1 Nov 2026, 2:16:36 UTC
Received 27 Oct 2026, 3:20:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 29 min 46 sec
CPU time 27 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.65 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:49:46 (5100): wrapper (7.9.26016): starting
03:49:46 (5100): 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
03:49:47 (5100): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:49:47 (5100): 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
04:19:40 (5100): C:/Windows/system32/cmd.exe exited; CPU time 1631.140625
04:19:40 (5100): 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: 31945059 bytes.
Dumping objects ->
{3835197} normal block at 0x000001B0780683F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001B076454E00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001B076455420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001B0764553B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001B0764552D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001B07801BC60, 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) : {3835109} normal block at 0x000001B07644F600, 8 bytes long.
 Data: <   v&#176;   > 00 00 8F 76 B0 01 00 00 
{3833961} normal block at 0x000001B076450140, 8 bytes long.
 Data: < &#220;Cv&#176;   > 10 DC 43 76 B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B076451CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B076446070, 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 0x000001B076456630, 16 bytes long.
 Data: <&#200;iEv&#176;           > C8 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B0764565E0, 16 bytes long.
 Data: <&#160;iEv&#176;           > A0 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B07644DF00, 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 0x000001B076455D70, 16 bytes long.
 Data: <xiEv&#176;           > 78 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B076456130, 16 bytes long.
 Data: <PiEv&#176;           > 50 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B076456590, 16 bytes long.
 Data: <(iEv&#176;           > 28 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B076456270, 16 bytes long.
 Data: < iEv&#176;           > 00 69 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B0764550A0, 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 0x000001B076456220, 16 bytes long.
 Data: <  Dv&#176;           > 08 8F 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B07644DD20, 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 0x000001B076456450, 16 bytes long.
 Data: <&#224;&#142;Dv&#176;           > E0 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B076455D20, 16 bytes long.
 Data: <&#184;&#142;Dv&#176;           > B8 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B076455A50, 16 bytes long.
 Data: < &#142;Dv&#176;           > 90 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B076455B40, 16 bytes long.
 Data: <h&#142;Dv&#176;           > 68 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B076456400, 16 bytes long.
 Data: <@&#142;Dv&#176;           > 40 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B076456540, 16 bytes long.
 Data: < &#142;Dv&#176;           > 18 8E 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B07644DAE0, 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 0x000001B076455820, 16 bytes long.
 Data: <&#240; Dv&#176;           > F0 8D 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B076448DF0, 320 bytes long.
 Data: < XEv&#176;   &#224;&#218;Dv&#176;   > 20 58 45 76 B0 01 00 00 E0 DA 44 76 B0 01 00 00 
{276} normal block at 0x000001B076455B90, 16 bytes long.
 Data: <&#224;hEv&#176;           > E0 68 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B076455AF0, 16 bytes long.
 Data: <&#184;hEv&#176;           > B8 68 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B07644D2A0, 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 0x000001B076455A00, 16 bytes long.
 Data: < hEv&#176;           > 90 68 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B07644D900, 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 0x000001B076455BE0, 16 bytes long.
 Data: <&#216;gEv&#176;           > D8 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B076456180, 16 bytes long.
 Data: <&#176;gEv&#176;           > B0 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B076455EB0, 16 bytes long.
 Data: < gEv&#176;           > 88 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B076455AA0, 16 bytes long.
 Data: <`gEv&#176;           > 60 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B0764561D0, 16 bytes long.
 Data: <8gEv&#176;           > 38 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B076455960, 16 bytes long.
 Data: < gEv&#176;           > 10 67 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B076455DC0, 16 bytes long.
 Data: <0PEv&#176;           > 30 50 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B076455030, 40 bytes long.
 Data: <&#192;]Ev&#176;   `&#188; x&#176;   > C0 5D 45 76 B0 01 00 00 60 BC 01 78 B0 01 00 00 
{262} normal block at 0x000001B076455870, 16 bytes long.
 Data: <&#240;fEv&#176;           > F0 66 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B0764564F0, 16 bytes long.
 Data: <&#200;fEv&#176;           > C8 66 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B07644D9C0, 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 0x000001B076455F00, 16 bytes long.
 Data: <&#160;fEv&#176;           > A0 66 45 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B0764566A0, 992 bytes long.
 Data: < _Ev&#176;   &#192;&#217;Dv&#176;   > 00 5F 45 76 B0 01 00 00 C0 D9 44 76 B0 01 00 00 
{94} normal block at 0x000001B07644DA20, 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 0x000001B07644F650, 16 bytes long.
 Data: < &#237;Dv&#176;           > 80 ED 44 76 B0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B07644ED80, 40 bytes long.
 Data: <P&#246;Dv&#176;    &#218;Dv&#176;   > 50 F6 44 76 B0 01 00 00 20 DA 44 76 B0 01 00 00 
{71} normal block at 0x000001B07644FE70, 16 bytes long.
 Data: < &#234;&#178;	&#246;           > 80 EA B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B07644FE20, 16 bytes long.
 Data: <@&#233;&#178;	&#246;           > 40 E9 B2 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B07644F6F0, 16 bytes long.
 Data: <&#248;W&#175;	&#246;           > F8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B07644F380, 16 bytes long.
 Data: <&#216;W&#175;	&#246;           > D8 57 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B0764500F0, 16 bytes long.
 Data: <P &#175;	&#246;           > 50 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B0764500A0, 16 bytes long.
 Data: <0 &#175;	&#246;           > 30 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B07644F920, 16 bytes long.
 Data: <&#224; &#175;	&#246;           > E0 02 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B07644F830, 16 bytes long.
 Data: <  &#175;	&#246;           > 10 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B07644F7E0, 16 bytes long.
 Data: <p &#175;	&#246;           > 70 04 AF 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B07644F6A0, 16 bytes long.
 Data: < &#192;&#173;	&#246;           > 18 C0 AD 09 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra