Task 38667635

Name test_171-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3116_0
Workunit 31610240
Created 25 Oct 2026, 8:47:30 UTC
Sent 25 Oct 2026, 8:47:32 UTC
Report deadline 30 Oct 2026, 8:47:32 UTC
Received 25 Oct 2026, 10:21:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 57 min 48 sec
CPU time 57 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.13 MB
Peak swap size 18.90 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
10:27:19 (11768): wrapper (7.9.26016): starting
10:27:19 (11768): 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
10:27:21 (11768): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:27:21 (11768): 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\171\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\171\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
11:20:57 (11768): C:/Windows/system32/cmd.exe exited; CPU time 3468.781250
11:20:57 (11768): 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: 87764899 bytes.
Dumping objects ->
{3835226} normal block at 0x000002BE7849A7C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002BE7849ABB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002BE7849AE50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x000002BE7849A600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000002BE7849A980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x000002BE7A306FA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x000002BE784CF560, 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) : {3835137} normal block at 0x000002BE78474710, 8 bytes long.
 Data: <   z&#190;   > 00 00 0E 7A BE 02 00 00 
{3834534} normal block at 0x000002BE784CF7D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002BE78474AD0, 8 bytes long.
 Data: < j9z&#190;   > 00 6A 39 7A BE 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002BE7845D5E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BE78466E00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002BE78474A80, 16 bytes long.
 Data: < ~Gx&#190;           > 88 7E 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BE78474A30, 16 bytes long.
 Data: <`~Gx&#190;           > 60 7E 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BE7846A450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002BE78474440, 16 bytes long.
 Data: <8~Gx&#190;           > 38 7E 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BE78474C10, 16 bytes long.
 Data: < ~Gx&#190;           > 10 7E 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BE78474350, 16 bytes long.
 Data: <&#232;}Gx&#190;           > E8 7D 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BE784742B0, 16 bytes long.
 Data: <&#192;}Gx&#190;           > C0 7D 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BE78472980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002BE78474D50, 16 bytes long.
 Data: <HHEx&#190;           > 48 48 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BE7846A930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002BE78474760, 16 bytes long.
 Data: < HEx&#190;           > 20 48 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BE784749E0, 16 bytes long.
 Data: <&#248;GEx&#190;           > F8 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BE78474620, 16 bytes long.
 Data: <&#208;GEx&#190;           > D0 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BE78474D00, 16 bytes long.
 Data: <&#168;GEx&#190;           > A8 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BE78474260, 16 bytes long.
 Data: < GEx&#190;           > 80 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BE784743F0, 16 bytes long.
 Data: <XGEx&#190;           > 58 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BE78469F70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002BE784744E0, 16 bytes long.
 Data: <0GEx&#190;           > 30 47 45 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BE78454730, 320 bytes long.
 Data: <&#224;DGx&#190;   p&#159;Fx&#190;   > E0 44 47 78 BE 02 00 00 70 9F 46 78 BE 02 00 00 
{270} normal block at 0x000002BE78474850, 16 bytes long.
 Data: <&#160;}Gx&#190;           > A0 7D 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BE78474FD0, 16 bytes long.
 Data: <x}Gx&#190;           > 78 7D 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BE7846A5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002BE78474DF0, 16 bytes long.
 Data: <P}Gx&#190;           > 50 7D 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BE7846A330, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002BE78474210, 16 bytes long.
 Data: < |Gx&#190;           > 98 7C 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BE784741C0, 16 bytes long.
 Data: <p|Gx&#190;           > 70 7C 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BE78474170, 16 bytes long.
 Data: <H|Gx&#190;           > 48 7C 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BE784746C0, 16 bytes long.
 Data: < |Gx&#190;           > 20 7C 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BE78474670, 16 bytes long.
 Data: <&#248;{Gx&#190;           > F8 7B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BE784747B0, 16 bytes long.
 Data: <&#208;{Gx&#190;           > D0 7B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BE784743A0, 16 bytes long.
 Data: <@+Gx&#190;           > 40 2B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BE78472B40, 40 bytes long.
 Data: <&#160;CGx&#190;   &#160;o0z&#190;   > A0 43 47 78 BE 02 00 00 A0 6F 30 7A BE 02 00 00 
{256} normal block at 0x000002BE784750C0, 16 bytes long.
 Data: <&#176;{Gx&#190;           > B0 7B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BE78475070, 16 bytes long.
 Data: < {Gx&#190;           > 88 7B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002BE7846A0F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002BE78475020, 16 bytes long.
 Data: <`{Gx&#190;           > 60 7B 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002BE78477B60, 992 bytes long.
 Data: < PGx&#190;   &#240;&#160;Fx&#190;   > 20 50 47 78 BE 02 00 00 F0 A0 46 78 BE 02 00 00 
{88} normal block at 0x000002BE7846A750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002BE78474DA0, 16 bytes long.
 Data: <&#176;$Gx&#190;           > B0 24 47 78 BE 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002BE784724B0, 40 bytes long.
 Data: <&#160;MGx&#190;   P&#167;Fx&#190;   > A0 4D 47 78 BE 02 00 00 50 A7 46 78 BE 02 00 00 
{65} normal block at 0x000002BE78468FF0, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BE78468D70, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BE78469CC0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BE78468FA0, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BE78469BD0, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BE78469B80, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BE784699F0, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BE78469C70, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BE78469360, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002BE78468E10, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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