Task 38683038

Name test_137-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1398_0
Workunit 31624623
Created 27 Oct 2026, 10:10:53 UTC
Sent 27 Oct 2026, 10:10:54 UTC
Report deadline 1 Nov 2026, 10:10:54 UTC
Received 27 Oct 2026, 14:40:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 47 sec
CPU time 1 hours 2 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.64 MB
Peak swap size 11.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:33:43 (11080): wrapper (7.9.26016): starting
14:33:43 (11080): 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
14:33:45 (11080): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:45 (11080): 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\29\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\29\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
15:39:23 (11080): C:/Windows/system32/cmd.exe exited; CPU time 3740.953125
15:39:23 (11080): 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: 58720845 bytes.
Dumping objects ->
{3835271} normal block at 0x00000211BC358970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000211BC358A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x00000211BC3592A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x00000211BC358EB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000211BC359070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x00000211BC2FBDA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000211BC35CF60, 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) : {3835182} normal block at 0x00000211BA726970, 8 bytes long.
 Data: <  l&#186;    > 00 00 6C BA 11 02 00 00 
{3834555} normal block at 0x00000211BC35DA60, 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 0x00000211BA726DD0, 8 bytes long.
 Data: <&#176;sy&#186;    > B0 73 79 BA 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000211BA731010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000211BA72C1E0, 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 0x00000211BA732FF0, 16 bytes long.
 Data: < 7s&#186;            > 88 37 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000211BA732460, 16 bytes long.
 Data: <`7s&#186;            > 60 37 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000211BA72C640, 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 0x00000211BA732F50, 16 bytes long.
 Data: <87s&#186;            > 38 37 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000211BA732D70, 16 bytes long.
 Data: < 7s&#186;            > 10 37 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000211BA732CD0, 16 bytes long.
 Data: <&#232;6s&#186;            > E8 36 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211BA732AF0, 16 bytes long.
 Data: <&#192;6s&#186;            > C0 36 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000211BA72B310, 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 0x00000211BA7328C0, 16 bytes long.
 Data: <&#168;&#178;q&#186;            > A8 B2 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000211BA72CDC0, 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 0x00000211BA732E60, 16 bytes long.
 Data: < &#178;q&#186;            > 80 B2 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000211BA732820, 16 bytes long.
 Data: <X&#178;q&#186;            > 58 B2 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211BA732E10, 16 bytes long.
 Data: <0&#178;q&#186;            > 30 B2 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000211BA732AA0, 16 bytes long.
 Data: < &#178;q&#186;            > 08 B2 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211BA7321E0, 16 bytes long.
 Data: <&#224;&#177;q&#186;            > E0 B1 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000211BA732C80, 16 bytes long.
 Data: <&#184;&#177;q&#186;            > B8 B1 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000211BA72D420, 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 0x00000211BA7329B0, 16 bytes long.
 Data: < &#177;q&#186;            > 90 B1 71 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000211BA71B190, 320 bytes long.
 Data: <&#176;)s&#186;     &#212;r&#186;    > B0 29 73 BA 11 02 00 00 20 D4 72 BA 11 02 00 00 
{269} normal block at 0x00000211BA732780, 16 bytes long.
 Data: <&#160;6s&#186;            > A0 36 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211BA732FA0, 16 bytes long.
 Data: <x6s&#186;            > 78 36 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000211BA72CA00, 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 0x00000211BA732DC0, 16 bytes long.
 Data: <P6s&#186;            > 50 36 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211BA72C8E0, 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 0x00000211BA732190, 16 bytes long.
 Data: < 5s&#186;            > 98 35 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000211BA732410, 16 bytes long.
 Data: <p5s&#186;            > 70 35 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211BA732EB0, 16 bytes long.
 Data: <H5s&#186;            > 48 35 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000211BA7327D0, 16 bytes long.
 Data: < 5s&#186;            > 20 35 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000211BA732F00, 16 bytes long.
 Data: <&#248;4s&#186;            > F8 34 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000211BA732320, 16 bytes long.
 Data: <&#208;4s&#186;            > D0 34 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000211BA732730, 16 bytes long.
 Data: <p&#183;r&#186;            > 70 B7 72 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000211BA72B770, 40 bytes long.
 Data: <0's&#186;    &#160;&#189;/&#188;    > 30 27 73 BA 11 02 00 00 A0 BD 2F BC 11 02 00 00 
{255} normal block at 0x00000211BA732D20, 16 bytes long.
 Data: <&#176;4s&#186;            > B0 34 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000211BA732C30, 16 bytes long.
 Data: < 4s&#186;            > 88 34 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000211BA72C760, 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 0x00000211BA7320F0, 16 bytes long.
 Data: <`4s&#186;            > 60 34 73 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000211BA733460, 992 bytes long.
 Data: <&#240; s&#186;    `&#199;r&#186;    > F0 20 73 BA 11 02 00 00 60 C7 72 BA 11 02 00 00 
{87} normal block at 0x00000211BA72C700, 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 0x00000211BA726920, 16 bytes long.
 Data: < &#179;r&#186;            > 80 B3 72 BA 11 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000211BA72B380, 40 bytes long.
 Data: < ir&#186;     &#199;r&#186;    > 20 69 72 BA 11 02 00 00 00 C7 72 BA 11 02 00 00 
{64} normal block at 0x00000211BA726510, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000211BA727000, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000211BA7265B0, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000211BA7268D0, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000211BA726FB0, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000211BA726A60, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000211BA726380, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000211BA726F10, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000211BA726E20, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000211BA726EC0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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