Task 38674011

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5245_0
Workunit 31616063
Created 26 Oct 2026, 4:03:20 UTC
Sent 26 Oct 2026, 4:03:25 UTC
Report deadline 31 Oct 2026, 4:03:25 UTC
Received 26 Oct 2026, 4:46:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 33 min 45 sec
CPU time 32 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 4.92 GB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:12:42 (15400): wrapper (7.9.26016): starting
23:12:42 (15400): 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
23:12:43 (15400): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:12:43 (15400): 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
23:45:28 (15400): C:/Windows/system32/cmd.exe exited; CPU time 1958.093750
23:45:28 (15400): 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: 25973939 bytes.
Dumping objects ->
{3835250} normal block at 0x000001E69660DF50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001E69660D850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001E69660E1F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001E694B24F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001E694B24EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001E696657130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001E69666F240, 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) : {3835161} normal block at 0x000001E694B1E400, 8 bytes long.
 Data: <  U&#150;&#230;   > 00 00 55 96 E6 01 00 00 
{3834554} normal block at 0x000001E69666F450, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001E694B1D5A0, 8 bytes long.
 Data: <&#240;Tk&#150;&#230;   > F0 54 6B 96 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E694B21740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E694B16530, 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 0x000001E694B25C00, 16 bytes long.
 Data: <&#184;l&#178;&#148;&#230;           > B8 6C B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E694B25B60, 16 bytes long.
 Data: < l&#178;&#148;&#230;           > 90 6C B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E694B20170, 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 0x000001E694B26150, 16 bytes long.
 Data: <hl&#178;&#148;&#230;           > 68 6C B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E694B25B10, 16 bytes long.
 Data: <@l&#178;&#148;&#230;           > 40 6C B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E694B26650, 16 bytes long.
 Data: < l&#178;&#148;&#230;           > 18 6C B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E694B25AC0, 16 bytes long.
 Data: <&#240;k&#178;&#148;&#230;           > F0 6B B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E694B250D0, 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 0x000001E694B26330, 16 bytes long.
 Data: <&#200;&#246;&#176;&#148;&#230;           > C8 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E694B1F690, 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 0x000001E694B26600, 16 bytes long.
 Data: <&#160;&#246;&#176;&#148;&#230;           > A0 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E694B25BB0, 16 bytes long.
 Data: <x&#246;&#176;&#148;&#230;           > 78 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E694B26560, 16 bytes long.
 Data: <P&#246;&#176;&#148;&#230;           > 50 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E694B26470, 16 bytes long.
 Data: <(&#246;&#176;&#148;&#230;           > 28 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E694B261A0, 16 bytes long.
 Data: < &#246;&#176;&#148;&#230;           > 00 F6 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E694B25CF0, 16 bytes long.
 Data: <&#216;&#245;&#176;&#148;&#230;           > D8 F5 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E694B1FBD0, 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 0x000001E694B26510, 16 bytes long.
 Data: <&#176;&#245;&#176;&#148;&#230;           > B0 F5 B0 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E694B0F5B0, 320 bytes long.
 Data: < e&#178;&#148;&#230;   &#208;&#251;&#177;&#148;&#230;   > 10 65 B2 94 E6 01 00 00 D0 FB B1 94 E6 01 00 00 
{276} normal block at 0x000001E694B265B0, 16 bytes long.
 Data: <&#208;k&#178;&#148;&#230;           > D0 6B B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E694B25DE0, 16 bytes long.
 Data: <&#168;k&#178;&#148;&#230;           > A8 6B B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E694B1FC90, 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 0x000001E694B268D0, 16 bytes long.
 Data: < k&#178;&#148;&#230;           > 80 6B B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E694B1FD50, 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 0x000001E694B25A20, 16 bytes long.
 Data: <&#200;j&#178;&#148;&#230;           > C8 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E694B260B0, 16 bytes long.
 Data: <&#160;j&#178;&#148;&#230;           > A0 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E694B25F20, 16 bytes long.
 Data: <xj&#178;&#148;&#230;           > 78 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E694B263D0, 16 bytes long.
 Data: <Pj&#178;&#148;&#230;           > 50 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E694B25ED0, 16 bytes long.
 Data: <(j&#178;&#148;&#230;           > 28 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E694B25E80, 16 bytes long.
 Data: < j&#178;&#148;&#230;           > 00 6A B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E694B25A70, 16 bytes long.
 Data: < R&#178;&#148;&#230;           > 20 52 B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E694B25220, 40 bytes long.
 Data: <pZ&#178;&#148;&#230;   0qe&#150;&#230;   > 70 5A B2 94 E6 01 00 00 30 71 65 96 E6 01 00 00 
{262} normal block at 0x000001E694B26880, 16 bytes long.
 Data: <&#224;i&#178;&#148;&#230;           > E0 69 B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E694B264C0, 16 bytes long.
 Data: <&#184;i&#178;&#148;&#230;           > B8 69 B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E694B1F510, 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 0x000001E694B262E0, 16 bytes long.
 Data: < i&#178;&#148;&#230;           > 90 69 B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E694B26990, 992 bytes long.
 Data: <&#224;b&#178;&#148;&#230;    &#245;&#177;&#148;&#230;   > E0 62 B2 94 E6 01 00 00 10 F5 B1 94 E6 01 00 00 
{94} normal block at 0x000001E694B1F750, 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 0x000001E694B1DA50, 16 bytes long.
 Data: < O&#178;&#148;&#230;           > 80 4F B2 94 E6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E694B24F80, 40 bytes long.
 Data: <P&#218;&#177;&#148;&#230;   P&#247;&#177;&#148;&#230;   > 50 DA B1 94 E6 01 00 00 50 F7 B1 94 E6 01 00 00 
{71} normal block at 0x000001E694B1E130, 16 bytes long.
 Data: < &#234;&#162;&#187;&#247;           > 80 EA A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E694B1DFA0, 16 bytes long.
 Data: <@&#233;&#162;&#187;&#247;           > 40 E9 A2 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E694B1DAF0, 16 bytes long.
 Data: <&#248;W&#159;&#187;&#247;           > F8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E694B1D730, 16 bytes long.
 Data: <&#216;W&#159;&#187;&#247;           > D8 57 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E694B1DCD0, 16 bytes long.
 Data: <P &#159;&#187;&#247;           > 50 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E694B1D5F0, 16 bytes long.
 Data: <0 &#159;&#187;&#247;           > 30 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E694B1DBE0, 16 bytes long.
 Data: <&#224; &#159;&#187;&#247;           > E0 02 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E694B1DF00, 16 bytes long.
 Data: <  &#159;&#187;&#247;           > 10 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E694B1DD70, 16 bytes long.
 Data: <p &#159;&#187;&#247;           > 70 04 9F BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E694B1E220, 16 bytes long.
 Data: < &#192; &#187;&#247;           > 18 C0 9D BB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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