Task 38658670

Name test_997-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND0912_0
Workunit 31602240
Created 24 Oct 2026, 12:53:44 UTC
Sent 24 Oct 2026, 13:01:27 UTC
Report deadline 29 Oct 2026, 13:01:27 UTC
Received 24 Oct 2026, 13:54:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 47 min 38 sec
CPU time 43 min
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 694.78 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:07:47 (21840): wrapper (7.9.26016): starting
15:07:47 (21840): 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
15:07:50 (21840): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:07:50 (21840): 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
15:53:30 (21840): C:/Windows/system32/cmd.exe exited; CPU time 2580.375000
15:53:30 (21840): 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: 63214726 bytes.
Dumping objects ->
{3835369} normal block at 0x00000244C41D0BC0, 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 0x00000244C41D0990, 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 0x00000244C41D1480, 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 0x00000244C41D12C0, 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 0x00000244C41D0DF0, 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 0x00000244C4280F60, 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 0x00000244C41DDD50, 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 0x00000244C267BC90, 8 bytes long.
 Data: <  d&#194;D   > 00 00 64 C2 44 02 00 00 
{3834623} normal block at 0x00000244C41DE9D0, 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 0x00000244C267CBE0, 8 bytes long.
 Data: <p&#235;u&#194;D   > 70 EB 75 C2 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000244C2684DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000244C266CD20, 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 0x00000244C2689940, 16 bytes long.
 Data: <xJh&#194;D           > 78 4A 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000244C26898F0, 16 bytes long.
 Data: <PJh&#194;D           > 50 4A 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000244C2685700, 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 0x00000244C2689800, 16 bytes long.
 Data: <(Jh&#194;D           > 28 4A 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000244C2689D50, 16 bytes long.
 Data: < Jh&#194;D           > 00 4A 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000244C26892B0, 16 bytes long.
 Data: <&#216;Ih&#194;D           > D8 49 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000244C2689760, 16 bytes long.
 Data: <&#176;Ih&#194;D           > B0 49 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000244C26864F0, 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 0x00000244C2689D00, 16 bytes long.
 Data: <8Fh&#194;D           > 38 46 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000244C2685220, 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 0x00000244C26896C0, 16 bytes long.
 Data: < Fh&#194;D           > 10 46 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000244C2689C60, 16 bytes long.
 Data: <&#232;Eh&#194;D           > E8 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000244C2689210, 16 bytes long.
 Data: <&#192;Eh&#194;D           > C0 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000244C2689120, 16 bytes long.
 Data: < Eh&#194;D           > 98 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000244C2689C10, 16 bytes long.
 Data: <pEh&#194;D           > 70 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000244C26893A0, 16 bytes long.
 Data: <HEh&#194;D           > 48 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000244C2685E80, 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 0x00000244C2689620, 16 bytes long.
 Data: < Eh&#194;D           > 20 45 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000244C2684520, 320 bytes long.
 Data: < &#150;h&#194;D    ^h&#194;D   > 20 96 68 C2 44 02 00 00 80 5E 68 C2 44 02 00 00 
{290} normal block at 0x00000244C2689B70, 16 bytes long.
 Data: < Ih&#194;D           > 90 49 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000244C2689080, 16 bytes long.
 Data: <hIh&#194;D           > 68 49 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000244C2686000, 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 0x00000244C2689170, 16 bytes long.
 Data: <@Ih&#194;D           > 40 49 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000244C2685580, 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 0x00000244C26894E0, 16 bytes long.
 Data: < Hh&#194;D           > 88 48 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000244C2689670, 16 bytes long.
 Data: <`Hh&#194;D           > 60 48 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000244C2689030, 16 bytes long.
 Data: <8Hh&#194;D           > 38 48 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000244C26898A0, 16 bytes long.
 Data: < Hh&#194;D           > 10 48 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000244C2689B20, 16 bytes long.
 Data: <&#232;Gh&#194;D           > E8 47 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000244C2689490, 16 bytes long.
 Data: <&#192;Gh&#194;D           > C0 47 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000244C2689AD0, 16 bytes long.
 Data: <&#208;eh&#194;D           > D0 65 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000244C26865D0, 40 bytes long.
 Data: <&#208;&#154;h&#194;D   ` (&#196;D   > D0 9A 68 C2 44 02 00 00 60 0F 28 C4 44 02 00 00 
{276} normal block at 0x00000244C2689A80, 16 bytes long.
 Data: <&#160;Gh&#194;D           > A0 47 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000244C2688F40, 16 bytes long.
 Data: <xGh&#194;D           > 78 47 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000244C2685C40, 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 0x00000244C26897B0, 16 bytes long.
 Data: <PGh&#194;D           > 50 47 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000244C2684750, 992 bytes long.
 Data: <&#176;&#151;h&#194;D   @\h&#194;D   > B0 97 68 C2 44 02 00 00 40 5C 68 C2 44 02 00 00 
{108} normal block at 0x00000244C26859A0, 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 0x00000244C267C140, 16 bytes long.
 Data: < dh&#194;D           > 80 64 68 C2 44 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000244C2686480, 40 bytes long.
 Data: <@&#193;g&#194;D   &#160;Yh&#194;D   > 40 C1 67 C2 44 02 00 00 A0 59 68 C2 44 02 00 00 
{85} normal block at 0x00000244C267C460, 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 0x00000244C267C910, 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 0x00000244C267C2D0, 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 0x00000244C267C9B0, 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 0x00000244C267BF10, 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 0x00000244C267CB90, 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 0x00000244C267C000, 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 0x00000244C267BFB0, 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 0x00000244C267C410, 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 0x00000244C267C730, 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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