Task 38665031

Name test_420-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5486_0
Workunit 31608152
Created 25 Oct 2026, 0:32:25 UTC
Sent 25 Oct 2026, 0:33:00 UTC
Report deadline 30 Oct 2026, 0:33:00 UTC
Received 25 Oct 2026, 7:48:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652623
Run time 3 hours 22 min 55 sec
CPU time 3 hours 22 min 55 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.75 MB
Peak swap size 13.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:28:28 (8716): wrapper (7.9.26016): starting
00:28:28 (8716): 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
00:28:29 (8716): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:28:29 (8716): 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\16\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\16\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
03:47:59 (8716): C:/Windows/system32/cmd.exe exited; CPU time 12175.296875
03:47:59 (8716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 263172411 bytes.
Dumping objects ->
{3835437} normal block at 0x000001B281F1D260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001B280165800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001B280165790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835404} normal block at 0x000001B280165720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001B2801653A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835362} normal block at 0x000001B281F69BF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835349} normal block at 0x000001B2801606E0, 8 bytes long.
 Data: <  } &#178;   > 00 00 7D 80 B2 01 00 00 
{3833965} normal block at 0x000001B280160000, 8 bytes long.
 Data: <P&#212;  &#178;   > 50 D4 18 80 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B280161F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B280157340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001B2801669E0, 16 bytes long.
 Data: <(r  &#178;           > 28 72 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B2801668F0, 16 bytes long.
 Data: < r  &#178;           > 00 72 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B28015DBD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001B280166DA0, 16 bytes long.
 Data: <&#216;q  &#178;           > D8 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B280166BC0, 16 bytes long.
 Data: <&#176;q  &#178;           > B0 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B2801666C0, 16 bytes long.
 Data: < q  &#178;           > 88 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B2801660D0, 16 bytes long.
 Data: <`q  &#178;           > 60 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B2801659C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001B2801667B0, 16 bytes long.
 Data: <&#216;&#249;  &#178;           > D8 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B28015E230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001B280166670, 16 bytes long.
 Data: <&#176;&#249;  &#178;           > B0 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B280166710, 16 bytes long.
 Data: < &#249;  &#178;           > 88 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B280166D00, 16 bytes long.
 Data: <`&#249;  &#178;           > 60 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B280166620, 16 bytes long.
 Data: <8&#249;  &#178;           > 38 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B2801662B0, 16 bytes long.
 Data: < &#249;  &#178;           > 10 F9 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B2801668A0, 16 bytes long.
 Data: <&#232;&#248;  &#178;           > E8 F8 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B28015E770, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001B280166080, 16 bytes long.
 Data: <&#192;&#248;  &#178;           > C0 F8 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B28014F8C0, 320 bytes long.
 Data: < `  &#178;   p&#231;  &#178;   > 80 60 16 80 B2 01 00 00 70 E7 15 80 B2 01 00 00 
{278} normal block at 0x000001B280166260, 16 bytes long.
 Data: <@q  &#178;           > 40 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B280166530, 16 bytes long.
 Data: < q  &#178;           > 18 71 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B28015DE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001B2801663A0, 16 bytes long.
 Data: <&#240;p  &#178;           > F0 70 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B28015E170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001B280166030, 16 bytes long.
 Data: <8p  &#178;           > 38 70 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B2801661C0, 16 bytes long.
 Data: < p  &#178;           > 10 70 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B280166580, 16 bytes long.
 Data: <&#232;o  &#178;           > E8 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B2801664E0, 16 bytes long.
 Data: <&#192;o  &#178;           > C0 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B280166B20, 16 bytes long.
 Data: < o  &#178;           > 98 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B280166210, 16 bytes long.
 Data: <po  &#178;           > 70 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B2801665D0, 16 bytes long.
 Data: < T  &#178;           > 80 54 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B280165480, 40 bytes long.
 Data: <&#208;e  &#178;   &#240;&#155;&#246; &#178;   > D0 65 16 80 B2 01 00 00 F0 9B F6 81 B2 01 00 00 
{264} normal block at 0x000001B280165F40, 16 bytes long.
 Data: <Po  &#178;           > 50 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B280166CB0, 16 bytes long.
 Data: <(o  &#178;           > 28 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B28015DC90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001B280166940, 16 bytes long.
 Data: < o  &#178;           > 00 6F 16 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B280166F00, 992 bytes long.
 Data: <@i  &#178;    &#220;  &#178;   > 40 69 16 80 B2 01 00 00 90 DC 15 80 B2 01 00 00 
{96} normal block at 0x000001B28015E7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001B280160910, 16 bytes long.
 Data: <@&#241;  &#178;           > 40 F1 14 80 B2 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B28014F140, 40 bytes long.
 Data: < 	  &#178;   &#208;&#231;  &#178;   > 10 09 16 80 B2 01 00 00 D0 E7 15 80 B2 01 00 00 
{73} normal block at 0x000001B280160AA0, 16 bytes long.
 Data: < &#234;&#194;&#249;&#246;           > 80 EA C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B280160460, 16 bytes long.
 Data: <@&#233;&#194;&#249;&#246;           > 40 E9 C2 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B2801602D0, 16 bytes long.
 Data: <&#248;W&#191;&#249;&#246;           > F8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B28015FF60, 16 bytes long.
 Data: <&#216;W&#191;&#249;&#246;           > D8 57 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B280160370, 16 bytes long.
 Data: <P &#191;&#249;&#246;           > 50 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B280160320, 16 bytes long.
 Data: <0 &#191;&#249;&#246;           > 30 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B2801601E0, 16 bytes long.
 Data: <&#224; &#191;&#249;&#246;           > E0 02 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B280160050, 16 bytes long.
 Data: <  &#191;&#249;&#246;           > 10 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B280160AF0, 16 bytes long.
 Data: <p &#191;&#249;&#246;           > 70 04 BF F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B280160410, 16 bytes long.
 Data: < &#192;&#189;&#249;&#246;           > 18 C0 BD F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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