Task 38667164

Name test_807-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND1036_2
Workunit 31609636
Created 25 Oct 2026, 6:36:53 UTC
Sent 25 Oct 2026, 6:37:33 UTC
Report deadline 30 Oct 2026, 6:37:33 UTC
Received 25 Oct 2026, 7:07:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 24 min 14 sec
CPU time 23 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.27 MB
Peak swap size 8.40 GB
Peak disk usage 3.51 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:42:51 (30144): wrapper (7.9.26016): starting
02:42:51 (30144): 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
02:42:52 (30144): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:42:52 (30144): 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
03:06:22 (30144): C:/Windows/system32/cmd.exe exited; CPU time 1380.203125
03:06:22 (30144): 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: 26797355 bytes.
Dumping objects ->
{3835219} normal block at 0x0000027D138F4B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000027D138F49E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000027D138F4AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000027D138F4510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000027D138F4C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000027D157F6E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000027D1580E370, 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) : {3835130} normal block at 0x0000027D138EDDF0, 8 bytes long.
 Data: <  &#226; }   > 00 00 E2 13 7D 02 00 00 
{3834528} normal block at 0x0000027D1580DF50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000027D138EE840, 8 bytes long.
 Data: <`B&#133; }   > 60 42 85 15 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000027D138F0770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027D138DE150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000027D138F5560, 16 bytes long.
 Data: <&#184;a  }           > B8 61 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027D138F5880, 16 bytes long.
 Data: < a  }           > 90 61 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027D138EEF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000027D138F5E20, 16 bytes long.
 Data: <ha  }           > 68 61 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027D138F5DD0, 16 bytes long.
 Data: <@a  }           > 40 61 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027D138F4F20, 16 bytes long.
 Data: < a  }           > 18 61 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027D138F5790, 16 bytes long.
 Data: <&#240;`  }           > F0 60 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027D138F4900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000027D138F5B00, 16 bytes long.
 Data: < &#218;&#142; }           > 88 DA 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027D138EFC00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000027D138F51F0, 16 bytes long.
 Data: <`&#218;&#142; }           > 60 DA 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027D138F5920, 16 bytes long.
 Data: <8&#218;&#142; }           > 38 DA 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027D138F5010, 16 bytes long.
 Data: < &#218;&#142; }           > 10 DA 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027D138F5150, 16 bytes long.
 Data: <&#232;&#217;&#142; }           > E8 D9 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027D138F5AB0, 16 bytes long.
 Data: <&#192;&#217;&#142; }           > C0 D9 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027D138F5380, 16 bytes long.
 Data: < &#217;&#142; }           > 98 D9 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027D138EED60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000027D138F5970, 16 bytes long.
 Data: <p&#217;&#142; }           > 70 D9 8E 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027D138ED970, 320 bytes long.
 Data: <pY  }   `&#237;&#142; }   > 70 59 8F 13 7D 02 00 00 60 ED 8E 13 7D 02 00 00 
{269} normal block at 0x0000027D138F5650, 16 bytes long.
 Data: <&#208;`  }           > D0 60 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027D138F5D80, 16 bytes long.
 Data: <&#168;`  }           > A8 60 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027D138EF1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000027D138F5830, 16 bytes long.
 Data: < `  }           > 80 60 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027D138EEEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000027D138F4FC0, 16 bytes long.
 Data: <&#200;_  }           > C8 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027D138F5B50, 16 bytes long.
 Data: <&#160;_  }           > A0 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027D138F50B0, 16 bytes long.
 Data: <x_  }           > 78 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027D138F5C40, 16 bytes long.
 Data: <P_  }           > 50 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027D138F4ED0, 16 bytes long.
 Data: <(_  }           > 28 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027D138F55B0, 16 bytes long.
 Data: < _  }           > 00 5F 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027D138F52E0, 16 bytes long.
 Data: < H  }           > 90 48 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027D138F4890, 40 bytes long.
 Data: <&#224;R  }    n  }   > E0 52 8F 13 7D 02 00 00 00 6E 7F 15 7D 02 00 00 
{255} normal block at 0x0000027D138F4F70, 16 bytes long.
 Data: <&#224;^  }           > E0 5E 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027D138F5A60, 16 bytes long.
 Data: <&#184;^  }           > B8 5E 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027D138EEE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000027D138F5740, 16 bytes long.
 Data: < ^  }           > 90 5E 8F 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000027D138F5E90, 992 bytes long.
 Data: <@W  }    &#238;&#142; }   > 40 57 8F 13 7D 02 00 00 80 EE 8E 13 7D 02 00 00 
{87} normal block at 0x0000027D138EF060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000027D138EE200, 16 bytes long.
 Data: <&#208;&#215;  }           > D0 D7 8D 13 7D 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000027D138DD7D0, 40 bytes long.
 Data: < &#226;&#142; }   `&#240;&#142; }   > 00 E2 8E 13 7D 02 00 00 60 F0 8E 13 7D 02 00 00 
{64} normal block at 0x0000027D138EE6B0, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027D138EE020, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027D138EDF80, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027D138EDF30, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027D138EE2F0, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027D138EDDA0, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027D138EDEE0, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027D138EE1B0, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027D138EEC50, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027D138EE660, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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