Task 38678269

Name test_444-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5355_0
Workunit 31620095
Created 26 Oct 2026, 16:53:56 UTC
Sent 26 Oct 2026, 16:54:01 UTC
Report deadline 31 Oct 2026, 16:54:01 UTC
Received 26 Oct 2026, 17:43:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 10 sec
CPU time 16 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.67 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:26:40 (4012): wrapper (7.9.26016): starting
18:26:40 (4012): 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
18:26:41 (4012): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:26:41 (4012): 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
18:43:09 (4012): C:/Windows/system32/cmd.exe exited; CPU time 976.046875
18:43:09 (4012): 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: 16328115 bytes.
Dumping objects ->
{3835018} normal block at 0x0000022BE61DD070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x0000022BE61DC740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x0000022BE61DCBA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x0000022BE61DCE40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x0000022BE44447C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x0000022BE6228280, 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) : {3834930} normal block at 0x0000022BE443DD90, 8 bytes long.
 Data: <  <&#228;+   > 00 00 3C E4 2B 02 00 00 
{3833961} normal block at 0x0000022BE443D7A0, 8 bytes long.
 Data: <&#240;B+&#230;+   > F0 42 2B E6 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022BE4440ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022BE4436020, 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 0x0000022BE44457F0, 16 bytes long.
 Data: < hD&#228;+           > 08 68 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022BE4445A70, 16 bytes long.
 Data: <&#224;gD&#228;+           > E0 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022BE443EEE0, 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 0x0000022BE4445840, 16 bytes long.
 Data: <&#184;gD&#228;+           > B8 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022BE4445610, 16 bytes long.
 Data: < gD&#228;+           > 90 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022BE4445A20, 16 bytes long.
 Data: <hgD&#228;+           > 68 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022BE4445570, 16 bytes long.
 Data: <@gD&#228;+           > 40 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022BE4444830, 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 0x0000022BE4446100, 16 bytes long.
 Data: <&#168;&#233;B&#228;+           > A8 E9 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022BE443F2A0, 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 0x0000022BE44462E0, 16 bytes long.
 Data: < &#233;B&#228;+           > 80 E9 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022BE4445700, 16 bytes long.
 Data: <X&#233;B&#228;+           > 58 E9 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022BE4445980, 16 bytes long.
 Data: <0&#233;B&#228;+           > 30 E9 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022BE4445F70, 16 bytes long.
 Data: < &#233;B&#228;+           > 08 E9 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022BE4445930, 16 bytes long.
 Data: <&#224;&#232;B&#228;+           > E0 E8 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022BE44461F0, 16 bytes long.
 Data: <&#184;&#232;B&#228;+           > B8 E8 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022BE443ECA0, 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 0x0000022BE4445C00, 16 bytes long.
 Data: < &#232;B&#228;+           > 90 E8 42 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022BE442E890, 320 bytes long.
 Data: < \D&#228;+   &#160;&#236;C&#228;+   > 00 5C 44 E4 2B 02 00 00 A0 EC 43 E4 2B 02 00 00 
{276} normal block at 0x0000022BE44460B0, 16 bytes long.
 Data: < gD&#228;+           > 20 67 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022BE4446290, 16 bytes long.
 Data: <&#248;fD&#228;+           > F8 66 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022BE443EC40, 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 0x0000022BE4445520, 16 bytes long.
 Data: <&#208;fD&#228;+           > D0 66 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022BE443F240, 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 0x0000022BE4445ED0, 16 bytes long.
 Data: < fD&#228;+           > 18 66 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022BE4445890, 16 bytes long.
 Data: <&#240;eD&#228;+           > F0 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022BE44459D0, 16 bytes long.
 Data: <&#200;eD&#228;+           > C8 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022BE4446010, 16 bytes long.
 Data: <&#160;eD&#228;+           > A0 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022BE4445C50, 16 bytes long.
 Data: <xeD&#228;+           > 78 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022BE4445F20, 16 bytes long.
 Data: <PeD&#228;+           > 50 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022BE4446470, 16 bytes long.
 Data: < LD&#228;+           > 20 4C 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022BE4444C20, 40 bytes long.
 Data: <pdD&#228;+    &#130;"&#230;+   > 70 64 44 E4 2B 02 00 00 80 82 22 E6 2B 02 00 00 
{262} normal block at 0x0000022BE4445CA0, 16 bytes long.
 Data: <0eD&#228;+           > 30 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022BE4445B10, 16 bytes long.
 Data: < eD&#228;+           > 08 65 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022BE443F6C0, 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 0x0000022BE4445E80, 16 bytes long.
 Data: <&#224;dD&#228;+           > E0 64 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022BE44464E0, 992 bytes long.
 Data: < ^D&#228;+   &#192;&#246;C&#228;+   > 80 5E 44 E4 2B 02 00 00 C0 F6 43 E4 2B 02 00 00 
{94} normal block at 0x0000022BE443F9C0, 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 0x0000022BE443D750, 16 bytes long.
 Data: < ID&#228;+           > 80 49 44 E4 2B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022BE4444980, 40 bytes long.
 Data: <P&#215;C&#228;+   &#192;&#249;C&#228;+   > 50 D7 43 E4 2B 02 00 00 C0 F9 43 E4 2B 02 00 00 
{71} normal block at 0x0000022BE443D4D0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022BE443DF20, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022BE443D2A0, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022BE443D840, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022BE443DCF0, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022BE443DED0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022BE443D340, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022BE443DCA0, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022BE443D250, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022BE443D6B0, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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