Task 38675689

Name test_570-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5298_0
Workunit 31617649
Created 26 Oct 2026, 9:00:45 UTC
Sent 26 Oct 2026, 9:00:53 UTC
Report deadline 31 Oct 2026, 9:00:53 UTC
Received 26 Oct 2026, 9:27:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 20 min 11 sec
CPU time 18 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.82 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:07:59 (9816): wrapper (7.9.26016): starting
11:07:59 (9816): 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
11:08:00 (9816): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:08:00 (9816): 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\8\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\8\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
11:27:24 (9816): C:/Windows/system32/cmd.exe exited; CPU time 1136.359375
11:27:24 (9816): 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: 23765143 bytes.
Dumping objects ->
{3835275} normal block at 0x00000169356F7FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000016933AA3D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000016933AA3D00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x0000016933AA3FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000016933AA3C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x00000169358389F0, 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) : {3835187} normal block at 0x0000016933A9E360, 8 bytes long.
 Data: <  &#235;3i   > 00 00 EB 33 69 01 00 00 
{3833939} normal block at 0x0000016933A9E770, 8 bytes long.
 Data: <`&#138;&#172;3i   > 60 8A AC 33 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000016933A9EC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016933A950E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000016933AA50A0, 16 bytes long.
 Data: <&#200;H&#170;3i           > C8 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016933AA5550, 16 bytes long.
 Data: <&#160;H&#170;3i           > A0 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016933AA27A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000016933AA57D0, 16 bytes long.
 Data: <xH&#170;3i           > 78 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016933AA5870, 16 bytes long.
 Data: <PH&#170;3i           > 50 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016933AA55F0, 16 bytes long.
 Data: <(H&#170;3i           > 28 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016933AA4A60, 16 bytes long.
 Data: < H&#170;3i           > 00 48 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016933AA4010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000016933AA4DD0, 16 bytes long.
 Data: < D&#170;3i           > 88 44 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016933AA2C20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000016933AA5500, 16 bytes long.
 Data: <`D&#170;3i           > 60 44 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016933AA4AB0, 16 bytes long.
 Data: <8D&#170;3i           > 38 44 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016933AA53C0, 16 bytes long.
 Data: < D&#170;3i           > 10 44 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016933AA5690, 16 bytes long.
 Data: <&#232;C&#170;3i           > E8 43 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016933AA54B0, 16 bytes long.
 Data: <&#192;C&#170;3i           > C0 43 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016933AA5460, 16 bytes long.
 Data: < C&#170;3i           > 98 43 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016933AA2E60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000016933AA5410, 16 bytes long.
 Data: <pC&#170;3i           > 70 43 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016933AA4370, 320 bytes long.
 Data: < T&#170;3i   `.&#170;3i   > 10 54 AA 33 69 01 00 00 60 2E AA 33 69 01 00 00 
{265} normal block at 0x0000016933AA4C40, 16 bytes long.
 Data: <&#224;G&#170;3i           > E0 47 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016933AA4E20, 16 bytes long.
 Data: <&#184;G&#170;3i           > B8 47 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016933AA3460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000016933AA4F10, 16 bytes long.
 Data: < G&#170;3i           > 90 47 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016933AA3640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000016933AA52D0, 16 bytes long.
 Data: <&#216;F&#170;3i           > D8 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016933AA5820, 16 bytes long.
 Data: <&#176;F&#170;3i           > B0 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016933AA4FB0, 16 bytes long.
 Data: < F&#170;3i           > 88 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016933AA5370, 16 bytes long.
 Data: <`F&#170;3i           > 60 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016933AA5640, 16 bytes long.
 Data: <8F&#170;3i           > 38 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016933A9E400, 16 bytes long.
 Data: < F&#170;3i           > 10 46 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016933A9E180, 16 bytes long.
 Data: <&#224;=&#170;3i           > E0 3D AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016933AA3DE0, 40 bytes long.
 Data: < &#225;&#169;3i   &#240;&#137;&#131;5i   > 80 E1 A9 33 69 01 00 00 F0 89 83 35 69 01 00 00 
{251} normal block at 0x0000016933A9DAA0, 16 bytes long.
 Data: <&#240;E&#170;3i           > F0 45 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000016933A9DD20, 16 bytes long.
 Data: <&#200;E&#170;3i           > C8 45 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000016933AA36A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000016933A9E4F0, 16 bytes long.
 Data: <&#160;E&#170;3i           > A0 45 AA 33 69 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000016933AA45A0, 992 bytes long.
 Data: <&#240;&#228;&#169;3i   &#160;6&#170;3i   > F0 E4 A9 33 69 01 00 00 A0 36 AA 33 69 01 00 00 
{83} normal block at 0x0000016933A8FB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000016933A9DD70, 16 bytes long.
 Data: < &#239;&#168;3i           > 20 EF A8 33 69 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000016933A8EF20, 40 bytes long.
 Data: <p&#221;&#169;3i   @&#251;&#168;3i   > 70 DD A9 33 69 01 00 00 40 FB A8 33 69 01 00 00 
{60} normal block at 0x0000016933A9DEB0, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016933A9DFF0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016933A9DE60, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016933A9E310, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016933A9E630, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016933A9DCD0, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000016933A9D910, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000016933A9E720, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000016933A9DB40, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000016933A9DF50, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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