Task 38685881

Name test_222-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9974_0
Workunit 31627335
Created 27 Oct 2026, 23:25:18 UTC
Sent 27 Oct 2026, 23:25:25 UTC
Report deadline 1 Nov 2026, 23:25:25 UTC
Received 28 Oct 2026, 0:53:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627736
Run time 1 hours 22 min 18 sec
CPU time 1 hours 21 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.46 MB
Peak swap size 9.71 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:31:37 (27732): wrapper (7.9.26016): starting
18:31:37 (27732): 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
18:31:38 (27732): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:31:38 (27732): 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
19:52:54 (27732): C:/Windows/system32/cmd.exe exited; CPU time 4876.046875
19:52:54 (27732): 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: 95431247 bytes.
Dumping objects ->
{3835186} normal block at 0x000002254D0D4A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002254B294030, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000002254B294110, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x000002254B2942D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000002254B293FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x000002254D0744B0, 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) : {3835098} normal block at 0x000002254B28F9B0, 8 bytes long.
 Data: <   K%   > 00 00 80 4B 25 02 00 00 
{3833959} normal block at 0x000002254B28EF10, 8 bytes long.
 Data: <&#240;: M%   > F0 3A 0D 4D 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002254B27F120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002254B286A70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002254B294E70, 16 bytes long.
 Data: <&#184;`)K%           > B8 60 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002254B294E20, 16 bytes long.
 Data: < `)K%           > 90 60 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002254B290870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002254B294EC0, 16 bytes long.
 Data: <h`)K%           > 68 60 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002254B2954B0, 16 bytes long.
 Data: <@`)K%           > 40 60 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002254B295000, 16 bytes long.
 Data: < `)K%           > 18 60 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002254B295370, 16 bytes long.
 Data: <&#240;_)K%           > F0 5F 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002254B294260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002254B295BE0, 16 bytes long.
 Data: < I)K%           > 88 49 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002254B2905D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002254B295050, 16 bytes long.
 Data: <`I)K%           > 60 49 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002254B2950F0, 16 bytes long.
 Data: <8I)K%           > 38 49 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002254B295410, 16 bytes long.
 Data: < I)K%           > 10 49 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002254B2959B0, 16 bytes long.
 Data: <&#232;H)K%           > E8 48 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002254B295AA0, 16 bytes long.
 Data: <&#192;H)K%           > C0 48 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002254B2950A0, 16 bytes long.
 Data: < H)K%           > 98 48 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002254B290510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002254B295960, 16 bytes long.
 Data: <pH)K%           > 70 48 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002254B294870, 320 bytes long.
 Data: <`Y)K%     )K%   > 60 59 29 4B 25 02 00 00 10 05 29 4B 25 02 00 00 
{275} normal block at 0x000002254B294F10, 16 bytes long.
 Data: <&#208;_)K%           > D0 5F 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002254B295690, 16 bytes long.
 Data: <&#168;_)K%           > A8 5F 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002254B290810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002254B294DD0, 16 bytes long.
 Data: < _)K%           > 80 5F 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002254B290930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002254B295B90, 16 bytes long.
 Data: <&#200;^)K%           > C8 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002254B295A50, 16 bytes long.
 Data: <&#160;^)K%           > A0 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002254B295D20, 16 bytes long.
 Data: <x^)K%           > 78 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002254B2957D0, 16 bytes long.
 Data: <P^)K%           > 50 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002254B295640, 16 bytes long.
 Data: <(^)K%           > 28 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002254B295B40, 16 bytes long.
 Data: < ^)K%           > 00 5E 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002254B294FB0, 16 bytes long.
 Data: <&#160;@)K%           > A0 40 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002254B2940A0, 40 bytes long.
 Data: <&#176;O)K%   &#176;D M%   > B0 4F 29 4B 25 02 00 00 B0 44 07 4D 25 02 00 00 
{261} normal block at 0x000002254B295280, 16 bytes long.
 Data: <&#224;])K%           > E0 5D 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002254B295C30, 16 bytes long.
 Data: <&#184;])K%           > B8 5D 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002254B2903F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002254B295910, 16 bytes long.
 Data: < ])K%           > 90 5D 29 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002254B295D90, 992 bytes long.
 Data: < Y)K%   &#240; )K%   > 10 59 29 4B 25 02 00 00 F0 03 29 4B 25 02 00 00 
{93} normal block at 0x000002254B290690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002254B28FBE0, 16 bytes long.
 Data: < &#199;'K%           > 10 C7 27 4B 25 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002254B27C710, 40 bytes long.
 Data: <&#224;&#251;(K%     )K%   > E0 FB 28 4B 25 02 00 00 90 06 29 4B 25 02 00 00 
{70} normal block at 0x000002254B28F6E0, 16 bytes long.
 Data: < &#234;&#236;&#151;&#246;           > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002254B28F500, 16 bytes long.
 Data: <@&#233;&#236;&#151;&#246;           > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002254B28F280, 16 bytes long.
 Data: <&#248;W&#233;&#151;&#246;           > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002254B28F690, 16 bytes long.
 Data: <&#216;W&#233;&#151;&#246;           > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002254B28F1E0, 16 bytes long.
 Data: <P &#233;&#151;&#246;           > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002254B28F7D0, 16 bytes long.
 Data: <0 &#233;&#151;&#246;           > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002254B28F4B0, 16 bytes long.
 Data: <&#224; &#233;&#151;&#246;           > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002254B28FC30, 16 bytes long.
 Data: <  &#233;&#151;&#246;           > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002254B28F0F0, 16 bytes long.
 Data: <p &#233;&#151;&#246;           > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002254B28F8C0, 16 bytes long.
 Data: < &#192;&#231;&#151;&#246;           > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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