Task 38665391

Name test_553-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND0583_0
Workunit 31608490
Created 25 Oct 2026, 1:04:30 UTC
Sent 25 Oct 2026, 1:05:56 UTC
Report deadline 30 Oct 2026, 1:05:56 UTC
Received 25 Oct 2026, 1:28:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 58 sec
CPU time 17 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.46 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:10:07 (20200): wrapper (7.9.26016): starting
21:10:07 (20200): 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
21:10:08 (20200): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:10:08 (20200): 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
21:27:20 (20200): C:/Windows/system32/cmd.exe exited; CPU time 1025.046875
21:27:20 (20200): 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: 20674233 bytes.
Dumping objects ->
{3835270} normal block at 0x000001D44E656600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001D44C935DC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001D44C9364C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001D44C936220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001D44C936450, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001D44E5FACD0, 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) : {3835182} normal block at 0x000001D44C92F150, 8 bytes long.
 Data: <  &#139;L&#212;   > 00 00 8B 4C D4 01 00 00 
{3833955} normal block at 0x000001D44C92F560, 8 bytes long.
 Data: < =&#147;L&#212;   > 20 3D 93 4C D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D44C931250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D44C926130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001D44C937800, 16 bytes long.
 Data: <&#200;}&#147;L&#212;           > C8 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D44C9377B0, 16 bytes long.
 Data: <&#160;}&#147;L&#212;           > A0 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D44C9307A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001D44C937760, 16 bytes long.
 Data: <x}&#147;L&#212;           > 78 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D44C9370D0, 16 bytes long.
 Data: <P}&#147;L&#212;           > 50 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D44C937030, 16 bytes long.
 Data: <(}&#147;L&#212;           > 28 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D44C936F90, 16 bytes long.
 Data: < }&#147;L&#212;           > 00 7D 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D44C935F10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001D44C936C20, 16 bytes long.
 Data: < f&#147;L&#212;           > 98 66 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D44C9301A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001D44C936EF0, 16 bytes long.
 Data: <pf&#147;L&#212;           > 70 66 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D44C936F40, 16 bytes long.
 Data: <Hf&#147;L&#212;           > 48 66 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D44C937710, 16 bytes long.
 Data: < f&#147;L&#212;           > 20 66 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D44C937990, 16 bytes long.
 Data: <&#248;e&#147;L&#212;           > F8 65 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D44C9376C0, 16 bytes long.
 Data: <&#208;e&#147;L&#212;           > D0 65 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D44C936EA0, 16 bytes long.
 Data: <&#168;e&#147;L&#212;           > A8 65 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D44C930020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001D44C937670, 16 bytes long.
 Data: < e&#147;L&#212;           > 80 65 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D44C936580, 320 bytes long.
 Data: <pv&#147;L&#212;     &#147;L&#212;   > 70 76 93 4C D4 01 00 00 20 00 93 4C D4 01 00 00 
{273} normal block at 0x000001D44C936AE0, 16 bytes long.
 Data: <&#224;|&#147;L&#212;           > E0 7C 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D44C937580, 16 bytes long.
 Data: <&#184;|&#147;L&#212;           > B8 7C 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D44C92FC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001D44C936BD0, 16 bytes long.
 Data: < |&#147;L&#212;           > 90 7C 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D44C930320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001D44C936B30, 16 bytes long.
 Data: <&#216;{&#147;L&#212;           > D8 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D44C937530, 16 bytes long.
 Data: <&#176;{&#147;L&#212;           > B0 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D44C9371C0, 16 bytes long.
 Data: < {&#147;L&#212;           > 88 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D44C937620, 16 bytes long.
 Data: <`{&#147;L&#212;           > 60 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D44C936E50, 16 bytes long.
 Data: <8{&#147;L&#212;           > 38 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D44C9373F0, 16 bytes long.
 Data: < {&#147;L&#212;           > 10 7B 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D44C9374E0, 16 bytes long.
 Data: < _&#147;L&#212;           > 80 5F 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D44C935F80, 40 bytes long.
 Data: <&#224;t&#147;L&#212;   &#208;&#172;_N&#212;   > E0 74 93 4C D4 01 00 00 D0 AC 5F 4E D4 01 00 00 
{259} normal block at 0x000001D44C936D60, 16 bytes long.
 Data: <&#240;z&#147;L&#212;           > F0 7A 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D44C936FE0, 16 bytes long.
 Data: <&#200;z&#147;L&#212;           > C8 7A 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D44C930080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001D44C9378A0, 16 bytes long.
 Data: <&#160;z&#147;L&#212;           > A0 7A 93 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D44C937AA0, 992 bytes long.
 Data: <&#160;x&#147;L&#212;     &#147;L&#212;   > A0 78 93 4C D4 01 00 00 80 00 93 4C D4 01 00 00 
{91} normal block at 0x000001D44C92FCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001D44C92EB60, 16 bytes long.
 Data: <P&#233;&#146;L&#212;           > 50 E9 92 4C D4 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D44C92E950, 40 bytes long.
 Data: <`&#235;&#146;L&#212;   &#192;&#252;&#146;L&#212;   > 60 EB 92 4C D4 01 00 00 C0 FC 92 4C D4 01 00 00 
{68} normal block at 0x000001D44C92F6A0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D44C92F650, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D44C92F790, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D44C92F600, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D44C92EFC0, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D44C92EBB0, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D44C92ED90, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D44C92EDE0, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D44C92EB10, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D44C92F1A0, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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