Task 38678896

Name test_16-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9582_0
Workunit 31620700
Created 26 Oct 2026, 18:50:54 UTC
Sent 26 Oct 2026, 18:50:55 UTC
Report deadline 31 Oct 2026, 18:50:55 UTC
Received 26 Oct 2026, 19:40:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 33 sec
CPU time 20 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.65 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:15:22 (13104): wrapper (7.9.26016): starting
15:15:22 (13104): 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
15:15:23 (13104): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:15:23 (13104): 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
15:36:56 (13104): C:/Windows/system32/cmd.exe exited; CPU time 1236.406250
15:36:56 (13104): 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: 22497577 bytes.
Dumping objects ->
{3835256} normal block at 0x000001E82D624500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001E82D623D90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001E82D623E00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001E82D624180, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001E82D6241F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001E82F38D8E0, 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) : {3835168} normal block at 0x000001E82D61D340, 8 bytes long.
 Data: <  &#173;-&#232;   > 00 00 AD 2D E8 01 00 00 
{3833967} normal block at 0x000001E82D61D2F0, 8 bytes long.
 Data: <P >/&#232;   > 50 04 3E 2F E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E82D6168F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001E82D6213D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E82D624F10, 16 bytes long.
 Data: <(_b-&#232;           > 28 5F 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E82D6256E0, 16 bytes long.
 Data: < _b-&#232;           > 00 5F 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E82D5EE290, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E82D625460, 16 bytes long.
 Data: <&#216;^b-&#232;           > D8 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E82D625A00, 16 bytes long.
 Data: <&#176;^b-&#232;           > B0 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E82D6259B0, 16 bytes long.
 Data: < ^b-&#232;           > 88 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E82D625230, 16 bytes long.
 Data: <`^b-&#232;           > 60 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E82D6245E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E82D624E20, 16 bytes long.
 Data: < 9b-&#232;           > 18 39 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E82D5EE0B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E82D624DD0, 16 bytes long.
 Data: <&#240;8b-&#232;           > F0 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E82D624D30, 16 bytes long.
 Data: <&#200;8b-&#232;           > C8 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E82D625320, 16 bytes long.
 Data: <&#160;8b-&#232;           > A0 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E82D6253C0, 16 bytes long.
 Data: <x8b-&#232;           > 78 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E82D6252D0, 16 bytes long.
 Data: <P8b-&#232;           > 50 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E82D6255F0, 16 bytes long.
 Data: <(8b-&#232;           > 28 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E82D5EDD50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E82D624D80, 16 bytes long.
 Data: < 8b-&#232;           > 00 38 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E82D623800, 320 bytes long.
 Data: < Mb-&#232;   P&#221;^-&#232;   > 80 4D 62 2D E8 01 00 00 50 DD 5E 2D E8 01 00 00 
{279} normal block at 0x000001E82D624C90, 16 bytes long.
 Data: <@^b-&#232;           > 40 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E82D625000, 16 bytes long.
 Data: < ^b-&#232;           > 18 5E 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E82D5EDCF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E82D6255A0, 16 bytes long.
 Data: <&#240;]b-&#232;           > F0 5D 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E82D5EE230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E82D6251E0, 16 bytes long.
 Data: <8]b-&#232;           > 38 5D 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E82D625B40, 16 bytes long.
 Data: < ]b-&#232;           > 10 5D 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E82D6257D0, 16 bytes long.
 Data: <&#232;\b-&#232;           > E8 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E82D625A50, 16 bytes long.
 Data: <&#192;\b-&#232;           > C0 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E82D625370, 16 bytes long.
 Data: < \b-&#232;           > 98 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E82D624EC0, 16 bytes long.
 Data: <p\b-&#232;           > 70 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E82D625960, 16 bytes long.
 Data: < Db-&#232;           > 20 44 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E82D624420, 40 bytes long.
 Data: <`Yb-&#232;   &#224;&#216;8/&#232;   > 60 59 62 2D E8 01 00 00 E0 D8 38 2F E8 01 00 00 
{265} normal block at 0x000001E82D625B90, 16 bytes long.
 Data: <P\b-&#232;           > 50 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E82D624CE0, 16 bytes long.
 Data: <(\b-&#232;           > 28 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E82D5EDE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E82D625690, 16 bytes long.
 Data: < \b-&#232;           > 00 5C 62 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E82D625C00, 992 bytes long.
 Data: < Vb-&#232;    &#222;^-&#232;   > 90 56 62 2D E8 01 00 00 10 DE 5E 2D E8 01 00 00 
{97} normal block at 0x000001E82D5EE950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E82D61D070, 16 bytes long.
 Data: <Pwa-&#232;           > 50 77 61 2D E8 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E82D617750, 40 bytes long.
 Data: <p&#208;a-&#232;   P&#233;^-&#232;   > 70 D0 61 2D E8 01 00 00 50 E9 5E 2D E8 01 00 00 
{74} normal block at 0x000001E82D61D520, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E82D61D890, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E82D61D6B0, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E82D61D7A0, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E82D61CA30, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E82D61D7F0, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E82D61CF30, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E82D61CFD0, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E82D61CEE0, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E82D61D1B0, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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