Task 38670846

Name test_684-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1343_0
Workunit 31613073
Created 25 Oct 2026, 18:44:06 UTC
Sent 25 Oct 2026, 18:44:06 UTC
Report deadline 30 Oct 2026, 18:44:06 UTC
Received 25 Oct 2026, 23:40:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539539
Run time 1 hours 4 min 51 sec
CPU time 1 hours 2 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,056.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.48 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:35:45 (17244): wrapper (7.9.26016): starting
23:35:45 (17244): 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
23:35:46 (17244): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:35:46 (17244): 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
00:39:50 (17244): C:/Windows/system32/cmd.exe exited; CPU time 3769.656250
00:39:50 (17244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 59404856 bytes.
Dumping objects ->
{3835272} normal block at 0x000001F759452710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x000001F759452BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x000001F759452B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x000001F759452780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F759452B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x000001F75AFB22E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001F75AFCA3E0, 85 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) : {3835183} normal block at 0x000001F7594482E0, 8 bytes long.
 Data: <  ?Y&#247;   > 00 00 3F 59 F7 01 00 00 
{3834555} normal block at 0x000001F75AFCAD40, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001F7594490F0, 8 bytes long.
 Data: <0&#235;&#227;Z&#247;   > 30 EB E3 5A F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F759451670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F75943AEC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001F759453360, 16 bytes long.
 Data: <&#184;DEY&#247;           > B8 44 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F7594531D0, 16 bytes long.
 Data: < DEY&#247;           > 90 44 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F75944E6A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001F759453220, 16 bytes long.
 Data: <hDEY&#247;           > 68 44 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F759454080, 16 bytes long.
 Data: <@DEY&#247;           > 40 44 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F759453FE0, 16 bytes long.
 Data: < DEY&#247;           > 18 44 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F759453F40, 16 bytes long.
 Data: <&#240;CEY&#247;           > F0 43 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F7594527F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001F7594540D0, 16 bytes long.
 Data: <8&#225;DY&#247;           > 38 E1 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F75944EA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001F759453E50, 16 bytes long.
 Data: < &#225;DY&#247;           > 10 E1 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F759453680, 16 bytes long.
 Data: <&#232;&#224;DY&#247;           > E8 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F759454120, 16 bytes long.
 Data: <&#192;&#224;DY&#247;           > C0 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F759453F90, 16 bytes long.
 Data: < &#224;DY&#247;           > 98 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F759453E00, 16 bytes long.
 Data: <p&#224;DY&#247;           > 70 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F7594534A0, 16 bytes long.
 Data: <H&#224;DY&#247;           > 48 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F75944E940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001F759453EF0, 16 bytes long.
 Data: < &#224;DY&#247;           > 20 E0 44 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F75944E020, 320 bytes long.
 Data: <&#240;>EY&#247;   @&#233;DY&#247;   > F0 3E 45 59 F7 01 00 00 40 E9 44 59 F7 01 00 00 
{268} normal block at 0x000001F759453DB0, 16 bytes long.
 Data: <&#208;CEY&#247;           > D0 43 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F7594536D0, 16 bytes long.
 Data: <&#168;CEY&#247;           > A8 43 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F75944E2E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001F759453310, 16 bytes long.
 Data: < CEY&#247;           > 80 43 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F75944EC40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001F759453D10, 16 bytes long.
 Data: <&#200;BEY&#247;           > C8 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F7594535E0, 16 bytes long.
 Data: <&#160;BEY&#247;           > A0 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F759453590, 16 bytes long.
 Data: <xBEY&#247;           > 78 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F759453CC0, 16 bytes long.
 Data: <PBEY&#247;           > 50 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F759453C70, 16 bytes long.
 Data: <(BEY&#247;           > 28 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F759453C20, 16 bytes long.
 Data: < BEY&#247;           > 00 42 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F759453900, 16 bytes long.
 Data: <@)EY&#247;           > 40 29 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F759452940, 40 bytes long.
 Data: < 9EY&#247;   &#224;"&#251;Z&#247;   > 00 39 45 59 F7 01 00 00 E0 22 FB 5A F7 01 00 00 
{254} normal block at 0x000001F759453810, 16 bytes long.
 Data: <&#224;AEY&#247;           > E0 41 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F759453950, 16 bytes long.
 Data: <&#184;AEY&#247;           > B8 41 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F75944F120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001F759453AE0, 16 bytes long.
 Data: < AEY&#247;           > 90 41 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F759454190, 992 bytes long.
 Data: <&#224;:EY&#247;    &#241;DY&#247;   > E0 3A 45 59 F7 01 00 00 20 F1 44 59 F7 01 00 00 
{86} normal block at 0x000001F75944E220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001F7594485B0, 16 bytes long.
 Data: <P,EY&#247;           > 50 2C 45 59 F7 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001F759452C50, 40 bytes long.
 Data: <&#176;&#133;DY&#247;    &#226;DY&#247;   > B0 85 44 59 F7 01 00 00 20 E2 44 59 F7 01 00 00 
{63} normal block at 0x000001F759449050, 16 bytes long.
 Data: < &#234;%&#227;&#247;           > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F759448FB0, 16 bytes long.
 Data: <@&#233;%&#227;&#247;           > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F759448740, 16 bytes long.
 Data: <&#248;W"&#227;&#247;           > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F759448BA0, 16 bytes long.
 Data: <&#216;W"&#227;&#247;           > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F759448F60, 16 bytes long.
 Data: <P "&#227;&#247;           > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F759449000, 16 bytes long.
 Data: <0 "&#227;&#247;           > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F759448A10, 16 bytes long.
 Data: <&#224; "&#227;&#247;           > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F759448E20, 16 bytes long.
 Data: <  "&#227;&#247;           > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F759448D30, 16 bytes long.
 Data: <p "&#227;&#247;           > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F759448DD0, 16 bytes long.
 Data: < &#192; &#227;&#247;           > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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