Task 38670910

Name test_116-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9077_0
Workunit 31613135
Created 25 Oct 2026, 18:56:43 UTC
Sent 25 Oct 2026, 18:56:50 UTC
Report deadline 30 Oct 2026, 18:56:50 UTC
Received 25 Oct 2026, 19:28:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 24 min 26 sec
CPU time 23 min 1 sec
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 727.03 MB
Peak swap size 8.40 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:09 (13088): wrapper (7.9.26016): starting
15:04:09 (13088): 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
15:04:10 (13088): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:04:10 (13088): 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
15:27:52 (13088): C:/Windows/system32/cmd.exe exited; CPU time 1381.468750
15:27:52 (13088): 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: 27055381 bytes.
Dumping objects ->
{3835219} normal block at 0x00000202CB404600, 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 0x00000202CB404590, 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 0x00000202CB404750, 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 0x00000202CB4049F0, 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 0x00000202CB404520, 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 0x00000202CD0695F0, 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 0x00000202CD07E1D0, 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 0x00000202CB3FE2B0, 8 bytes long.
 Data: <  &#149;&#203;    > 00 00 95 CB 02 02 00 00 
{3834528} normal block at 0x00000202CD07DF10, 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 0x00000202CB3FDBD0, 8 bytes long.
 Data: < &#237;&#254;&#204;    > 00 ED FE CC 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000202CB3FFDD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000202CB3F5900, 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 0x00000202CB404B50, 16 bytes long.
 Data: <&#232;]@&#203;            > E8 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000202CB4058C0, 16 bytes long.
 Data: <&#192;]@&#203;            > C0 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000202CB3FEEA0, 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 0x00000202CB404B00, 16 bytes long.
 Data: < ]@&#203;            > 98 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000202CB405690, 16 bytes long.
 Data: <p]@&#203;            > 70 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000202CB404E70, 16 bytes long.
 Data: <H]@&#203;            > 48 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000202CB405370, 16 bytes long.
 Data: < ]@&#203;            > 20 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000202CB404360, 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 0x00000202CB4056E0, 16 bytes long.
 Data: < &#218;?&#203;            > 18 DA 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000202CB3FF140, 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 0x00000202CB405A50, 16 bytes long.
 Data: <&#240;&#217;?&#203;            > F0 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000202CB405640, 16 bytes long.
 Data: <&#200;&#217;?&#203;            > C8 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000202CB4059B0, 16 bytes long.
 Data: <&#160;&#217;?&#203;            > A0 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000202CB405460, 16 bytes long.
 Data: <x&#217;?&#203;            > 78 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000202CB4055F0, 16 bytes long.
 Data: <P&#217;?&#203;            > 50 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000202CB404F60, 16 bytes long.
 Data: <(&#217;?&#203;            > 28 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000202CB3FF440, 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 0x00000202CB405780, 16 bytes long.
 Data: < &#217;?&#203;            > 00 D9 3F CB 02 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000202CB3FD900, 320 bytes long.
 Data: < W@&#203;    @&#244;?&#203;    > 80 57 40 CB 02 02 00 00 40 F4 3F CB 02 02 00 00 
{269} normal block at 0x00000202CB405140, 16 bytes long.
 Data: < ]@&#203;            > 00 5D 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000202CB405820, 16 bytes long.
 Data: <&#216;\@&#203;            > D8 5C 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000202CB3FEDE0, 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 0x00000202CB4057D0, 16 bytes long.
 Data: <&#176;\@&#203;            > B0 5C 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000202CB3FF7A0, 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 0x00000202CB405870, 16 bytes long.
 Data: <&#248;[@&#203;            > F8 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000202CB4052D0, 16 bytes long.
 Data: <&#208;[@&#203;            > D0 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000202CB405A00, 16 bytes long.
 Data: <&#168;[@&#203;            > A8 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000202CB405960, 16 bytes long.
 Data: < [@&#203;            > 80 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000202CB405280, 16 bytes long.
 Data: <X[@&#203;            > 58 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000202CB4050A0, 16 bytes long.
 Data: <0[@&#203;            > 30 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000202CB404EC0, 16 bytes long.
 Data: <pF@&#203;            > 70 46 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000202CB404670, 40 bytes long.
 Data: <&#192;N@&#203;    &#240;&#149; &#205;    > C0 4E 40 CB 02 02 00 00 F0 95 06 CD 02 02 00 00 
{255} normal block at 0x00000202CB405910, 16 bytes long.
 Data: < [@&#203;            > 10 5B 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000202CB405320, 16 bytes long.
 Data: <&#232;Z@&#203;            > E8 5A 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000202CB3FEFC0, 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 0x00000202CB4051E0, 16 bytes long.
 Data: <&#192;Z@&#203;            > C0 5A 40 CB 02 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000202CB405AC0, 992 bytes long.
 Data: <&#224;Q@&#203;    &#192;&#239;?&#203;    > E0 51 40 CB 02 02 00 00 C0 EF 3F CB 02 02 00 00 
{87} normal block at 0x00000202CB3FF3E0, 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 0x00000202CB3FE260, 16 bytes long.
 Data: < &#238;>&#203;            > 10 EE 3E CB 02 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000202CB3EEE10, 40 bytes long.
 Data: <`&#226;?&#203;    &#224;&#243;?&#203;    > 60 E2 3F CB 02 02 00 00 E0 F3 3F CB 02 02 00 00 
{64} normal block at 0x00000202CB3FE440, 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 0x00000202CB3FE530, 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 0x00000202CB3FE1C0, 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 0x00000202CB3FDEA0, 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 0x00000202CB3FE8A0, 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 0x00000202CB3FE800, 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 0x00000202CB3FDB80, 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 0x00000202CB3FE940, 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 0x00000202CB3FDD60, 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 0x00000202CB3FE5D0, 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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