Task 38667120

Name test_1588-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND7303_0
Workunit 31609797
Created 25 Oct 2026, 6:27:00 UTC
Sent 25 Oct 2026, 6:27:48 UTC
Report deadline 30 Oct 2026, 6:27:48 UTC
Received 25 Oct 2026, 7:21:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 49 min 55 sec
CPU time 49 min 55 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 713.11 MB
Peak swap size 18.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
07:34:33 (14824): wrapper (7.9.26016): starting
07:34:33 (14824): 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
07:34:35 (14824): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:35 (14824): 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
08:20:11 (14824): C:/Windows/system32/cmd.exe exited; CPU time 2995.921875
08:20:11 (14824): 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: 74983519 bytes.
Dumping objects ->
{3835226} normal block at 0x000002596F379A30, 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 0x000002596F37A050, 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 0x000002596F379790, 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 0x000002596F379F70, 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 0x000002596F3794F0, 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 0x00000259711611E0, 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 0x000002596F37BF70, 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 0x000002596F353B90, 8 bytes long.
 Data: <  'oY   > 00 00 27 6F 59 02 00 00 
{3834534} normal block at 0x000002596F37C1E0, 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 0x000002596F353050, 8 bytes long.
 Data: <PZ qY   > 50 5A 12 71 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002596F33E670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002596F338EF0, 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 0x000002596F3538C0, 16 bytes long.
 Data: <hq5oY           > 68 71 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002596F353870, 16 bytes long.
 Data: <@q5oY           > 40 71 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002596F349F60, 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 0x000002596F353730, 16 bytes long.
 Data: < q5oY           > 18 71 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002596F353690, 16 bytes long.
 Data: <&#240;p5oY           > F0 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002596F353640, 16 bytes long.
 Data: <&#200;p5oY           > C8 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002596F3535F0, 16 bytes long.
 Data: <&#160;p5oY           > A0 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002596F3517D0, 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 0x000002596F353AF0, 16 bytes long.
 Data: <x&#160;3oY           > 78 A0 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002596F349DE0, 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 0x000002596F353A00, 16 bytes long.
 Data: <P&#160;3oY           > 50 A0 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002596F353DC0, 16 bytes long.
 Data: <(&#160;3oY           > 28 A0 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002596F353550, 16 bytes long.
 Data: < &#160;3oY           > 00 A0 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002596F353460, 16 bytes long.
 Data: <&#216;&#159;3oY           > D8 9F 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002596F3533C0, 16 bytes long.
 Data: <&#176;&#159;3oY           > B0 9F 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002596F353E10, 16 bytes long.
 Data: < &#159;3oY           > 88 9F 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002596F34A4A0, 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 0x000002596F353D70, 16 bytes long.
 Data: <`&#159;3oY           > 60 9F 33 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002596F339F60, 320 bytes long.
 Data: <p=5oY   &#160;&#164;4oY   > 70 3D 35 6F 59 02 00 00 A0 A4 34 6F 59 02 00 00 
{270} normal block at 0x000002596F353AA0, 16 bytes long.
 Data: < p5oY           > 80 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002596F353410, 16 bytes long.
 Data: <Xp5oY           > 58 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002596F349D80, 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 0x000002596F353820, 16 bytes long.
 Data: <0p5oY           > 30 70 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002596F349EA0, 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 0x000002596F3535A0, 16 bytes long.
 Data: <xo5oY           > 78 6F 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002596F353320, 16 bytes long.
 Data: <Po5oY           > 50 6F 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002596F353A50, 16 bytes long.
 Data: <(o5oY           > 28 6F 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002596F353960, 16 bytes long.
 Data: < o5oY           > 00 6F 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002596F353B40, 16 bytes long.
 Data: <&#216;n5oY           > D8 6E 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002596F3532D0, 16 bytes long.
 Data: <&#176;n5oY           > B0 6E 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002596F353D20, 16 bytes long.
 Data: <p 5oY           > 70 13 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002596F351370, 40 bytes long.
 Data: < =5oY   &#224;  qY   > 20 3D 35 6F 59 02 00 00 E0 11 16 71 59 02 00 00 
{256} normal block at 0x000002596F353190, 16 bytes long.
 Data: < n5oY           > 90 6E 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002596F353910, 16 bytes long.
 Data: <hn5oY           > 68 6E 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002596F34A3E0, 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 0x000002596F353140, 16 bytes long.
 Data: <@n5oY           > 40 6E 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002596F356E40, 992 bytes long.
 Data: <@15oY   &#224;&#163;4oY   > 40 31 35 6F 59 02 00 00 E0 A3 34 6F 59 02 00 00 
{88} normal block at 0x000002596F349C60, 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 0x000002596F353370, 16 bytes long.
 Data: <  5oY           > 00 1A 35 6F 59 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002596F351A00, 40 bytes long.
 Data: <p35oY   `&#156;4oY   > 70 33 35 6F 59 02 00 00 60 9C 34 6F 59 02 00 00 
{65} normal block at 0x000002596F349000, 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 0x000002596F3490A0, 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 0x000002596F348FB0, 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 0x000002596F3489C0, 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 0x000002596F349320, 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 0x000002596F348F10, 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 0x000002596F348970, 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 0x000002596F348B50, 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 0x000002596F348880, 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 0x000002596F348A60, 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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