Task 38696840

Name test_301-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0594_0
Workunit 31637456
Created 1 Nov 2026, 5:20:31 UTC
Sent 1 Nov 2026, 5:20:33 UTC
Report deadline 6 Nov 2026, 5:20:33 UTC
Received 1 Nov 2026, 6:05:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649231
Run time 43 min 15 sec
CPU time 39 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.88 MB
Peak swap size 14.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:22:20 (35740): wrapper (7.9.26016): starting
00:22:20 (35740): 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
00:22:22 (35740): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:22:22 (35740): 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 'D:\ProgramData\BOINC\slots\36\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 'D:\ProgramData\BOINC\slots\36\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
01:04:06 (35740): C:/Windows/system32/cmd.exe exited; CPU time 2386.765625
01:04:06 (35740): 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: 54829987 bytes.
Dumping objects ->
{3835285} normal block at 0x00000115CD3869E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x00000115CD386AC0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x00000115CD386A50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835252} normal block at 0x00000115CD386890, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000115CD386510, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835210} normal block at 0x00000115CF1E9E00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x00000115CF1FF980, 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) : {3835196} normal block at 0x00000115CD37D580, 8 bytes long.
 Data: <   &#205;    > 00 00 80 CD 15 01 00 00 
{3834573} normal block at 0x00000115CF1FEFE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000115CD37DF80, 8 bytes long.
 Data: < N'&#207;    > 20 4E 27 CF 15 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000115CD381F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000115CD376010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000115CD3850D0, 16 bytes long.
 Data: <&#232;b8&#205;            > E8 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000115CD385800, 16 bytes long.
 Data: <&#192;b8&#205;            > C0 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000115CD37F4C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000115CD3851C0, 16 bytes long.
 Data: < b8&#205;            > 98 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000115CD3856C0, 16 bytes long.
 Data: <pb8&#205;            > 70 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000115CD385C60, 16 bytes long.
 Data: <Hb8&#205;            > 48 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000115CD385350, 16 bytes long.
 Data: < b8&#205;            > 20 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000115CD386900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000115CD3852B0, 16 bytes long.
 Data: <&#184;&#187;6&#205;            > B8 BB 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000115CD37FD00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000115CD3857B0, 16 bytes long.
 Data: < &#187;6&#205;            > 90 BB 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000115CD385300, 16 bytes long.
 Data: <h&#187;6&#205;            > 68 BB 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000115CD385120, 16 bytes long.
 Data: <@&#187;6&#205;            > 40 BB 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000115CD385670, 16 bytes long.
 Data: < &#187;6&#205;            > 18 BB 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000115CD385710, 16 bytes long.
 Data: <&#240;&#186;6&#205;            > F0 BA 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000115CD385530, 16 bytes long.
 Data: <&#200;&#186;6&#205;            > C8 BA 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000115CD37F400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000115CD385620, 16 bytes long.
 Data: <&#160;&#186;6&#205;            > A0 BA 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000115CD36BAA0, 320 bytes long.
 Data: < V8&#205;     &#244;7&#205;    > 20 56 38 CD 15 01 00 00 00 F4 37 CD 15 01 00 00 
{278} normal block at 0x00000115CD385260, 16 bytes long.
 Data: < b8&#205;            > 00 62 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000115CD3859E0, 16 bytes long.
 Data: <&#216;a8&#205;            > D8 61 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000115CD37F760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000115CD3854E0, 16 bytes long.
 Data: <&#176;a8&#205;            > B0 61 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000115CD37F700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000115CD384F40, 16 bytes long.
 Data: <&#248;`8&#205;            > F8 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000115CD385B70, 16 bytes long.
 Data: <&#208;`8&#205;            > D0 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000115CD385990, 16 bytes long.
 Data: <&#168;`8&#205;            > A8 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000115CD3853F0, 16 bytes long.
 Data: < `8&#205;            > 80 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000115CD385A80, 16 bytes long.
 Data: <X`8&#205;            > 58 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000115CD3855D0, 16 bytes long.
 Data: <0`8&#205;            > 30 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000115CD3858A0, 16 bytes long.
 Data: <&#160;&#199;6&#205;            > A0 C7 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000115CD36C7A0, 40 bytes long.
 Data: <&#160;X8&#205;     &#158; &#207;    > A0 58 38 CD 15 01 00 00 00 9E 1E CF 15 01 00 00 
{264} normal block at 0x00000115CD385210, 16 bytes long.
 Data: < `8&#205;            > 10 60 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000115CD384E50, 16 bytes long.
 Data: <&#232;_8&#205;            > E8 5F 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000115CD380120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000115CD385BC0, 16 bytes long.
 Data: <&#192;_8&#205;            > C0 5F 38 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000115CD385FC0, 992 bytes long.
 Data: <&#192;[8&#205;      8&#205;    > C0 5B 38 CD 15 01 00 00 20 01 38 CD 15 01 00 00 
{96} normal block at 0x00000115CD37FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000115CD37DEE0, 16 bytes long.
 Data: <0&#227;6&#205;            > 30 E3 36 CD 15 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000115CD36E330, 40 bytes long.
 Data: <&#224;&#222;7&#205;    @&#255;7&#205;    > E0 DE 37 CD 15 01 00 00 40 FF 37 CD 15 01 00 00 
{73} normal block at 0x00000115CD37DBC0, 16 bytes long.
 Data: < &#234;&#206;C&#246;           > 80 EA CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000115CD37DF30, 16 bytes long.
 Data: <@&#233;&#206;C&#246;           > 40 E9 CE 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000115CD37D4E0, 16 bytes long.
 Data: <&#248;W&#203;C&#246;           > F8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000115CD37D8F0, 16 bytes long.
 Data: <&#216;W&#203;C&#246;           > D8 57 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000115CD37DD50, 16 bytes long.
 Data: <P &#203;C&#246;           > 50 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000115CD37E020, 16 bytes long.
 Data: <0 &#203;C&#246;           > 30 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000115CD37DC10, 16 bytes long.
 Data: <&#224; &#203;C&#246;           > E0 02 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000115CD37E110, 16 bytes long.
 Data: <  &#203;C&#246;           > 10 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000115CD37D8A0, 16 bytes long.
 Data: <p &#203;C&#246;           > 70 04 CB 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000115CD37D440, 16 bytes long.
 Data: < &#192;&#201;C&#246;           > 18 C0 C9 43 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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