Task 38683789

Name test_784-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7987_0
Workunit 31625334
Created 27 Oct 2026, 13:19:52 UTC
Sent 27 Oct 2026, 13:19:56 UTC
Report deadline 1 Nov 2026, 13:19:56 UTC
Received 27 Oct 2026, 14:17:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 28 min 57 sec
CPU time 27 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.32 MB
Peak swap size 13.04 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:48:54 (10540): wrapper (7.9.26016): starting
14:48:54 (10540): 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
14:48:55 (10540): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:48:55 (10540): 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\3\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\3\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
15:17:07 (10540): C:/Windows/system32/cmd.exe exited; CPU time 1644.625000
15:17:07 (10540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22278181 bytes.
Dumping objects ->
{3835235} normal block at 0x000002AE50FF3240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002AE50FF35C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000002AE50FF38D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000002AE50FF3D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002AE4F204580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000002AE50F94540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000002AE50FAE3C0, 102 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) : {3835146} normal block at 0x000002AE4F1FE880, 8 bytes long.
 Data: <  nO&#174;   > 00 00 6E 4F AE 02 00 00 
{3834542} normal block at 0x000002AE50FADFA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002AE4F1FED30, 8 bytes long.
 Data: < K Q&#174;   > 10 4B 02 51 AE 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002AE4F200800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AE4F1EF860, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002AE4F2058D0, 16 bytes long.
 Data: < c O&#174;           > 98 63 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AE4F2050B0, 16 bytes long.
 Data: <pc O&#174;           > 70 63 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AE4F1FF6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002AE4F205880, 16 bytes long.
 Data: <Hc O&#174;           > 48 63 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AE4F205330, 16 bytes long.
 Data: < c O&#174;           > 20 63 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AE4F2051A0, 16 bytes long.
 Data: <&#248;b O&#174;           > F8 62 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AE4F2054C0, 16 bytes long.
 Data: <&#208;b O&#174;           > D0 62 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AE4F2047B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002AE4F205470, 16 bytes long.
 Data: < &#228; O&#174;           > 88 E4 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AE4F1FFE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002AE4F205A60, 16 bytes long.
 Data: <`&#228; O&#174;           > 60 E4 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AE4F205830, 16 bytes long.
 Data: <8&#228; O&#174;           > 38 E4 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AE4F2057E0, 16 bytes long.
 Data: < &#228; O&#174;           > 10 E4 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AE4F2052E0, 16 bytes long.
 Data: <&#232;&#227; O&#174;           > E8 E3 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AE4F205650, 16 bytes long.
 Data: <&#192;&#227; O&#174;           > C0 E3 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AE4F205510, 16 bytes long.
 Data: < &#227; O&#174;           > 98 E3 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AE4F200110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002AE4F206000, 16 bytes long.
 Data: <p&#227; O&#174;           > 70 E3 1F 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AE4F1FE370, 320 bytes long.
 Data: < ` O&#174;      O&#174;   > 00 60 20 4F AE 02 00 00 10 01 20 4F AE 02 00 00 
{276} normal block at 0x000002AE4F205150, 16 bytes long.
 Data: <&#176;b O&#174;           > B0 62 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AE4F205600, 16 bytes long.
 Data: < b O&#174;           > 88 62 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AE4F1FFC90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002AE4F205790, 16 bytes long.
 Data: <`b O&#174;           > 60 62 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AE4F1FF690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002AE4F205FB0, 16 bytes long.
 Data: <&#168;a O&#174;           > A8 61 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AE4F2053D0, 16 bytes long.
 Data: < a O&#174;           > 80 61 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AE4F205F10, 16 bytes long.
 Data: <Xa O&#174;           > 58 61 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AE4F2055B0, 16 bytes long.
 Data: <0a O&#174;           > 30 61 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AE4F205EC0, 16 bytes long.
 Data: < a O&#174;           > 08 61 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AE4F205560, 16 bytes long.
 Data: <&#224;` O&#174;           > E0 60 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AE4F205E70, 16 bytes long.
 Data: <&#240;E O&#174;           > F0 45 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AE4F2045F0, 40 bytes long.
 Data: <p^ O&#174;   @E&#249;P&#174;   > 70 5E 20 4F AE 02 00 00 40 45 F9 50 AE 02 00 00 
{262} normal block at 0x000002AE4F2059C0, 16 bytes long.
 Data: <&#192;` O&#174;           > C0 60 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AE4F205D80, 16 bytes long.
 Data: < ` O&#174;           > 98 60 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AE4F200170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002AE4F205740, 16 bytes long.
 Data: <p` O&#174;           > 70 60 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AE4F206070, 992 bytes long.
 Data: <@W O&#174;   p  O&#174;   > 40 57 20 4F AE 02 00 00 70 01 20 4F AE 02 00 00 
{94} normal block at 0x000002AE4F1FF930, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002AE4F1FECE0, 16 bytes long.
 Data: < H O&#174;           > 20 48 20 4F AE 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002AE4F204820, 40 bytes long.
 Data: <&#224;&#236; O&#174;   0&#249; O&#174;   > E0 EC 1F 4F AE 02 00 00 30 F9 1F 4F AE 02 00 00 
{71} normal block at 0x000002AE4F1FF230, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AE4F1FEE70, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AE4F1FEA60, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AE4F1FEF60, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AE4F1FEC90, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AE4F1FF410, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AE4F1FE6A0, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AE4F1FEC40, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AE4F1FE7E0, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AE4F1FE650, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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