Task 38659655

Name test_1609-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5641_0
Workunit 31603197
Created 24 Oct 2026, 13:32:47 UTC
Sent 24 Oct 2026, 16:03:30 UTC
Report deadline 29 Oct 2026, 16:03:30 UTC
Received 24 Oct 2026, 18:19:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 40 min 24 sec
CPU time 35 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.04 MB
Peak swap size 5.34 GB
Peak disk usage 3.86 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:00:05 (18052): wrapper (7.9.26016): starting
19:00:05 (18052): 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
19:00:06 (18052): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:00:06 (18052): 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\4\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\4\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
19:38:15 (18052): C:/Windows/system32/cmd.exe exited; CPU time 2133.937500
19:38:15 (18052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 52166038 bytes.
Dumping objects ->
{3835369} normal block at 0x000002004A860E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000002004A860CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x000002004A861170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835336} normal block at 0x000002004A861100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x000002004A8615D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835294} normal block at 0x000002004A9D7640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x000002004A9F0DC0, 85 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) : {3835280} normal block at 0x0000020048E799B0, 8 bytes long.
 Data: <  &#226;H    > 00 00 E2 48 00 02 00 00 
{3834623} normal block at 0x000002004A9EFEC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x0000020048E79820, 8 bytes long.
 Data: < v&#163;J    > 00 76 A3 4A 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000020048E84F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000020048E88080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000020048E869F0, 16 bytes long.
 Data: <&#232;w&#232;H            > E8 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000020048E86860, 16 bytes long.
 Data: <&#192;w&#232;H            > C0 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000020048E7E210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000020048E86720, 16 bytes long.
 Data: < w&#232;H            > 98 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020048E866D0, 16 bytes long.
 Data: <pw&#232;H            > 70 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020048E864F0, 16 bytes long.
 Data: <Hw&#232;H            > 48 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020048E860E0, 16 bytes long.
 Data: < w&#232;H            > 20 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020048E7F4F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000020048E86040, 16 bytes long.
 Data: <&#232;]&#232;H            > E8 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020048E7EB70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000020048E86B80, 16 bytes long.
 Data: <&#192;]&#232;H            > C0 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020048E86D60, 16 bytes long.
 Data: < ]&#232;H            > 98 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020048E869A0, 16 bytes long.
 Data: <p]&#232;H            > 70 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020048E86400, 16 bytes long.
 Data: <H]&#232;H            > 48 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020048E86090, 16 bytes long.
 Data: < ]&#232;H            > 20 5D E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020048E863B0, 16 bytes long.
 Data: <&#248;\&#232;H            > F8 5C E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020048E7EFF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000020048E864A0, 16 bytes long.
 Data: <&#208;\&#232;H            > D0 5C E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020048E85CD0, 320 bytes long.
 Data: <&#160;d&#232;H    &#240;&#239;&#231;H    > A0 64 E8 48 00 02 00 00 F0 EF E7 48 00 02 00 00 
{290} normal block at 0x0000020048E868B0, 16 bytes long.
 Data: < w&#232;H            > 00 77 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020048E86220, 16 bytes long.
 Data: <&#216;v&#232;H            > D8 76 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020048E7E3F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000020048E86310, 16 bytes long.
 Data: <&#176;v&#232;H            > B0 76 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020048E7E4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000020048E85FF0, 16 bytes long.
 Data: <&#248;u&#232;H            > F8 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020048E85FA0, 16 bytes long.
 Data: <&#208;u&#232;H            > D0 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020048E86270, 16 bytes long.
 Data: <&#168;u&#232;H            > A8 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020048E85F50, 16 bytes long.
 Data: < u&#232;H            > 80 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020048E86180, 16 bytes long.
 Data: <Xu&#232;H            > 58 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020048E86360, 16 bytes long.
 Data: <0u&#232;H            > 30 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020048E86CC0, 16 bytes long.
 Data: <P&#242;&#231;H            > 50 F2 E7 48 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020048E7F250, 40 bytes long.
 Data: <&#192;l&#232;H    @v J    > C0 6C E8 48 00 02 00 00 40 76 9D 4A 00 02 00 00 
{276} normal block at 0x0000020048E86130, 16 bytes long.
 Data: < u&#232;H            > 10 75 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020048E86A90, 16 bytes long.
 Data: <&#232;t&#232;H            > E8 74 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020048E7E930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000020048E86810, 16 bytes long.
 Data: <&#192;t&#232;H            > C0 74 E8 48 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020048E874C0, 992 bytes long.
 Data: < h&#232;H    0&#233;&#231;H    > 10 68 E8 48 00 02 00 00 30 E9 E7 48 00 02 00 00 
{108} normal block at 0x0000020048E7E690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000020048E79780, 16 bytes long.
 Data: < &#244;&#231;H            > 10 F4 E7 48 00 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000020048E7F410, 40 bytes long.
 Data: < &#151;&#231;H     &#230;&#231;H    > 80 97 E7 48 00 02 00 00 90 E6 E7 48 00 02 00 00 
{85} normal block at 0x0000020048E7A180, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020048E7A270, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000020048E7A090, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020048E79B90, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020048E7A040, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000020048E7A360, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020048E79FF0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020048E79FA0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020048E79E10, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020048E7A130, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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