Task 38671337

Name test_486-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5118_0
Workunit 31613546
Created 25 Oct 2026, 20:13:42 UTC
Sent 25 Oct 2026, 20:13:46 UTC
Report deadline 30 Oct 2026, 20:13:46 UTC
Received 26 Oct 2026, 0:44:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539539
Run time 1 hours 4 min 47 sec
CPU time 1 hours 2 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,056.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.86 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:40:42 (19016): wrapper (7.9.26016): starting
00:40:42 (19016): 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
00:40:43 (19016): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:40:43 (19016): 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
01:44:42 (19016): C:/Windows/system32/cmd.exe exited; CPU time 3767.234375
01:44:42 (19016): 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: 59238486 bytes.
Dumping objects ->
{3835272} normal block at 0x000002E0247A1900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x000002E0247A1DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x000002E0247A1F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x000002E0247A1CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002E0247A1AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x000002E0263DBD80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002E0264794E0, 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) : {3835183} normal block at 0x000002E024797E30, 8 bytes long.
 Data: <   &&#224;   > 00 00 18 26 E0 02 00 00 
{3834555} normal block at 0x000002E026478F40, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002E024797C50, 8 bytes long.
 Data: <&#192;\G&&#224;   > C0 5C 47 26 E0 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002E0247A0800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002E024785F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002E0247A2DC0, 16 bytes long.
 Data: < 7z$&#224;           > 88 37 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E0247A20A0, 16 bytes long.
 Data: <`7z$&#224;           > 60 37 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002E02479E270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002E0247A25A0, 16 bytes long.
 Data: <87z$&#224;           > 38 37 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E0247A2B90, 16 bytes long.
 Data: < 7z$&#224;           > 10 37 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E0247A29B0, 16 bytes long.
 Data: <&#232;6z$&#224;           > E8 36 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E0247A2320, 16 bytes long.
 Data: <&#192;6z$&#224;           > C0 36 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E0247A1BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002E0247A2870, 16 bytes long.
 Data: < ^x$&#224;           > 98 5E 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E02479DFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002E0247A2140, 16 bytes long.
 Data: <p^x$&#224;           > 70 5E 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E0247A2460, 16 bytes long.
 Data: <H^x$&#224;           > 48 5E 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E0247A2D70, 16 bytes long.
 Data: < ^x$&#224;           > 20 5E 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002E0247A2FA0, 16 bytes long.
 Data: <&#248;]x$&#224;           > F8 5D 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E0247A27D0, 16 bytes long.
 Data: <&#208;]x$&#224;           > D0 5D 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E0247A2780, 16 bytes long.
 Data: <&#168;]x$&#224;           > A8 5D 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E02479DE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002E0247A2B40, 16 bytes long.
 Data: < ]x$&#224;           > 80 5D 78 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E024785D80, 320 bytes long.
 Data: <@+z$&#224;   P&#222;y$&#224;   > 40 2B 7A 24 E0 02 00 00 50 DE 79 24 E0 02 00 00 
{268} normal block at 0x000002E0247A22D0, 16 bytes long.
 Data: <&#160;6z$&#224;           > A0 36 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E0247A28C0, 16 bytes long.
 Data: <x6z$&#224;           > 78 36 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E02479D6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002E0247A2AF0, 16 bytes long.
 Data: <P6z$&#224;           > 50 36 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E02479D7F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002E0247A2550, 16 bytes long.
 Data: < 5z$&#224;           > 98 35 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E0247A2190, 16 bytes long.
 Data: <p5z$&#224;           > 70 35 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E0247A2730, 16 bytes long.
 Data: <H5z$&#224;           > 48 35 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002E0247A2E60, 16 bytes long.
 Data: < 5z$&#224;           > 20 35 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E0247A24B0, 16 bytes long.
 Data: <&#248;4z$&#224;           > F8 34 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E0247A25F0, 16 bytes long.
 Data: <&#208;4z$&#224;           > D0 34 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002E0247A2F50, 16 bytes long.
 Data: <` z$&#224;           > 60 1D 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002E0247A1D60, 40 bytes long.
 Data: <P/z$&#224;    &#189;=&&#224;   > 50 2F 7A 24 E0 02 00 00 80 BD 3D 26 E0 02 00 00 
{254} normal block at 0x000002E0247A2E10, 16 bytes long.
 Data: <&#176;4z$&#224;           > B0 34 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002E0247A2230, 16 bytes long.
 Data: < 4z$&#224;           > 88 34 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002E02479DA30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002E0247A2C80, 16 bytes long.
 Data: <`4z$&#224;           > 60 34 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002E0247A3460, 992 bytes long.
 Data: < ,z$&#224;   0&#218;y$&#224;   > 80 2C 7A 24 E0 02 00 00 30 DA 79 24 E0 02 00 00 
{86} normal block at 0x000002E02479E390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002E024798010, 16 bytes long.
 Data: <&#224; z$&#224;           > E0 19 7A 24 E0 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002E0247A19E0, 40 bytes long.
 Data: <  y$&#224;    &#227;y$&#224;   > 10 80 79 24 E0 02 00 00 90 E3 79 24 E0 02 00 00 
{63} normal block at 0x000002E024797A20, 16 bytes long.
 Data: < &#234;%&#227;&#247;           > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002E024797D40, 16 bytes long.
 Data: <@&#233;%&#227;&#247;           > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002E024798100, 16 bytes long.
 Data: <&#248;W"&#227;&#247;           > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002E024797700, 16 bytes long.
 Data: <&#216;W"&#227;&#247;           > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002E024797570, 16 bytes long.
 Data: <P "&#227;&#247;           > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002E024797980, 16 bytes long.
 Data: <0 "&#227;&#247;           > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002E024797B60, 16 bytes long.
 Data: <&#224; "&#227;&#247;           > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002E0247978E0, 16 bytes long.
 Data: <  "&#227;&#247;           > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002E024797520, 16 bytes long.
 Data: <p "&#227;&#247;           > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002E024798330, 16 bytes long.
 Data: < &#192; &#227;&#247;           > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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