Task 38683021

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6011_0
Workunit 31624606
Created 27 Oct 2026, 10:05:41 UTC
Sent 27 Oct 2026, 10:05:47 UTC
Report deadline 1 Nov 2026, 10:05:47 UTC
Received 27 Oct 2026, 10:50:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 56 sec
CPU time 20 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.80 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:28:15 (22464): wrapper (7.9.26016): starting
03:28:15 (22464): 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
03:28:16 (22464): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:28:16 (22464): 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\1\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\1\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
03:49:12 (22464): C:/Windows/system32/cmd.exe exited; CPU time 1237.500000
03:49:12 (22464): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23539625 bytes.
Dumping objects ->
{3835219} normal block at 0x000001E6DB6E5270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001E6DB6E5350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001E6DB6E5200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001E6DB6E5190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001E6DB6E5120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001E6DD355A70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001E6DB73BEE0, 140 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) : {3835130} normal block at 0x000001E6DB6DFEF0, 8 bytes long.
 Data: <  h&#219;&#230;   > 00 00 68 DB E6 01 00 00 
{3834533} normal block at 0x000001E6DB73CE50, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001E6DB6DFA90, 8 bytes long.
 Data: <0&#169;p&#219;&#230;   > 30 A9 70 DB E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E6DB6DDE00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6DB6D6260, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001E6DB6E67F0, 16 bytes long.
 Data: <Xnn&#219;&#230;           > 58 6E 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6DB6E5D50, 16 bytes long.
 Data: <0nn&#219;&#230;           > 30 6E 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6DB6E0180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001E6DB6E6610, 16 bytes long.
 Data: < nn&#219;&#230;           > 08 6E 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6DB6E5F30, 16 bytes long.
 Data: <&#224;mn&#219;&#230;           > E0 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6DB6E5D00, 16 bytes long.
 Data: <&#184;mn&#219;&#230;           > B8 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6DB6E67A0, 16 bytes long.
 Data: < mn&#219;&#230;           > 90 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6DB6E5660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001E6DB6E6750, 16 bytes long.
 Data: <H&#148;m&#219;&#230;           > 48 94 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6DB6E0AE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001E6DB6E6070, 16 bytes long.
 Data: < &#148;m&#219;&#230;           > 20 94 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6DB6E5C10, 16 bytes long.
 Data: <&#248;&#147;m&#219;&#230;           > F8 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6DB6E6A20, 16 bytes long.
 Data: <&#208;&#147;m&#219;&#230;           > D0 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6DB6E6660, 16 bytes long.
 Data: <&#168;&#147;m&#219;&#230;           > A8 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6DB6E6980, 16 bytes long.
 Data: < &#147;m&#219;&#230;           > 80 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6DB6E6020, 16 bytes long.
 Data: <X&#147;m&#219;&#230;           > 58 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6DB6E00C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001E6DB6E69D0, 16 bytes long.
 Data: <0&#147;m&#219;&#230;           > 30 93 6D DB E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6DB6D9330, 320 bytes long.
 Data: <&#208;in&#219;&#230;   &#192; n&#219;&#230;   > D0 69 6E DB E6 01 00 00 C0 00 6E DB E6 01 00 00 
{271} normal block at 0x000001E6DB6E6520, 16 bytes long.
 Data: <pmn&#219;&#230;           > 70 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6DB6E6570, 16 bytes long.
 Data: <Hmn&#219;&#230;           > 48 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6DB6E09C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001E6DB6E62F0, 16 bytes long.
 Data: < mn&#219;&#230;           > 20 6D 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6DB6E02A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001E6DB6E6AC0, 16 bytes long.
 Data: <hln&#219;&#230;           > 68 6C 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6DB6E6250, 16 bytes long.
 Data: <@ln&#219;&#230;           > 40 6C 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6DB6E65C0, 16 bytes long.
 Data: < ln&#219;&#230;           > 18 6C 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6DB6E5FD0, 16 bytes long.
 Data: <&#240;kn&#219;&#230;           > F0 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6DB6E5F80, 16 bytes long.
 Data: <&#200;kn&#219;&#230;           > C8 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6DB6E6700, 16 bytes long.
 Data: <&#160;kn&#219;&#230;           > A0 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E6DB6E6890, 16 bytes long.
 Data: < Un&#219;&#230;           > 80 55 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E6DB6E5580, 40 bytes long.
 Data: < hn&#219;&#230;   pZ5&#221;&#230;   > 90 68 6E DB E6 01 00 00 70 5A 35 DD E6 01 00 00 
{257} normal block at 0x000001E6DB6E62A0, 16 bytes long.
 Data: < kn&#219;&#230;           > 80 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E6DB6E5EE0, 16 bytes long.
 Data: <Xkn&#219;&#230;           > 58 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E6DB6E04E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001E6DB6E6480, 16 bytes long.
 Data: <0kn&#219;&#230;           > 30 6B 6E DB E6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E6DB6E6B30, 992 bytes long.
 Data: < dn&#219;&#230;   &#224; n&#219;&#230;   > 80 64 6E DB E6 01 00 00 E0 04 6E DB E6 01 00 00 
{89} normal block at 0x000001E6DB6E0A20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001E6DB6DF9F0, 16 bytes long.
 Data: <P&#223;l&#219;&#230;           > 50 DF 6C DB E6 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001E6DB6CDF50, 40 bytes long.
 Data: <&#240;&#249;m&#219;&#230;     n&#219;&#230;   > F0 F9 6D DB E6 01 00 00 20 0A 6E DB E6 01 00 00 
{66} normal block at 0x000001E6DB6DF130, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6DB6DF9A0, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6DB6DFB80, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6DB6DFC20, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6DB6DFCC0, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E6DB6DF860, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E6DB6DF0E0, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E6DB6DF360, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E6DB6DF310, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E6DB6DF090, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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