Task 38697336

Name test_514-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2434_0
Workunit 31637919
Created 1 Nov 2026, 12:52:26 UTC
Sent 1 Nov 2026, 12:52:32 UTC
Report deadline 6 Nov 2026, 12:52:32 UTC
Received 1 Nov 2026, 14:13:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 11 sec
CPU time 52 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 652.47 MB
Peak swap size 6.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
13:15:13 (8052): wrapper (7.9.26016): starting
13:15:13 (8052): 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
13:15:14 (8052): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:15:14 (8052): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
14:07:40 (8052): C:/Windows/system32/cmd.exe exited; CPU time 3138.156250
14:07:40 (8052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36961003 bytes.
Dumping objects ->
{3835313} normal block at 0x000001C396DF6FF0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x000001C396DF6960, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x000001C396DF6C00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x000001C39518B590, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001C39518B520, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x000001C396D9B4A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001C395188890, 200 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) : {3835224} normal block at 0x000001C395186C10, 8 bytes long.
 Data: <   &#149;&#195;   > 00 00 13 95 C3 01 00 00 
{3834581} normal block at 0x000001C395189EE0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001C395186BC0, 8 bytes long.
 Data: <&#192;j&#211;&#150;&#195;   > C0 6A D3 96 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001C395191190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C395175C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001C395192EF0, 16 bytes long.
 Data: < 6 &#149;&#195;           > 88 36 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C395192E50, 16 bytes long.
 Data: <`6 &#149;&#195;           > 60 36 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C39518C7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001C395192D60, 16 bytes long.
 Data: <86 &#149;&#195;           > 38 36 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C395192D10, 16 bytes long.
 Data: < 6 &#149;&#195;           > 10 36 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C395192C70, 16 bytes long.
 Data: <&#232;5 &#149;&#195;           > E8 35 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C395192130, 16 bytes long.
 Data: <&#192;5 &#149;&#195;           > C0 35 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C39518B750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001C3951922C0, 16 bytes long.
 Data: <&#232;[ &#149;&#195;           > E8 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C39518D3A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001C395192BD0, 16 bytes long.
 Data: <&#192;[ &#149;&#195;           > C0 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C395192090, 16 bytes long.
 Data: < [ &#149;&#195;           > 98 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C395192AE0, 16 bytes long.
 Data: <p[ &#149;&#195;           > 70 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C395192950, 16 bytes long.
 Data: <H[ &#149;&#195;           > 48 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C395192DB0, 16 bytes long.
 Data: < [ &#149;&#195;           > 20 5B 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C395192040, 16 bytes long.
 Data: <&#248;Z &#149;&#195;           > F8 5A 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C39518D100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001C395192900, 16 bytes long.
 Data: <&#208;Z &#149;&#195;           > D0 5A 17 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C395175AD0, 320 bytes long.
 Data: < ) &#149;&#195;    &#209; &#149;&#195;   > 00 29 19 95 C3 01 00 00 00 D1 18 95 C3 01 00 00 
{269} normal block at 0x000001C395192B80, 16 bytes long.
 Data: <&#160;5 &#149;&#195;           > A0 35 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3951928B0, 16 bytes long.
 Data: <x5 &#149;&#195;           > 78 35 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C39518C680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001C395192270, 16 bytes long.
 Data: <P5 &#149;&#195;           > 50 35 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C39518CAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001C3951927C0, 16 bytes long.
 Data: < 4 &#149;&#195;           > 98 34 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C395192860, 16 bytes long.
 Data: <p4 &#149;&#195;           > 70 34 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C395192720, 16 bytes long.
 Data: <H4 &#149;&#195;           > 48 34 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C395192400, 16 bytes long.
 Data: < 4 &#149;&#195;           > 20 34 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C395192A90, 16 bytes long.
 Data: <&#248;3 &#149;&#195;           > F8 33 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C3951920E0, 16 bytes long.
 Data: <&#208;3 &#149;&#195;           > D0 33 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C395192310, 16 bytes long.
 Data: <0&#177; &#149;&#195;           > 30 B1 18 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C39518B130, 40 bytes long.
 Data: < # &#149;&#195;   &#160;&#180;&#217;&#150;&#195;   > 10 23 19 95 C3 01 00 00 A0 B4 D9 96 C3 01 00 00 
{255} normal block at 0x000001C395192EA0, 16 bytes long.
 Data: <&#176;3 &#149;&#195;           > B0 33 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C395192220, 16 bytes long.
 Data: < 3 &#149;&#195;           > 88 33 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C39518D340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001C395192680, 16 bytes long.
 Data: <`3 &#149;&#195;           > 60 33 19 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001C395193360, 992 bytes long.
 Data: < & &#149;&#195;   @&#211; &#149;&#195;   > 80 26 19 95 C3 01 00 00 40 D3 18 95 C3 01 00 00 
{87} normal block at 0x000001C39518C920, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001C395186EE0, 16 bytes long.
 Data: < &#182; &#149;&#195;           > 00 B6 18 95 C3 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001C39518B600, 40 bytes long.
 Data: <&#224;n &#149;&#195;    &#201; &#149;&#195;   > E0 6E 18 95 C3 01 00 00 20 C9 18 95 C3 01 00 00 
{64} normal block at 0x000001C395187200, 16 bytes long.
 Data: < &#234;Z&#227;&#246;           > 80 EA 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C395186E90, 16 bytes long.
 Data: <@&#233;Z&#227;&#246;           > 40 E9 5A E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3951866C0, 16 bytes long.
 Data: <&#248;WW&#227;&#246;           > F8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C395186B70, 16 bytes long.
 Data: <&#216;WW&#227;&#246;           > D8 57 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C3951863F0, 16 bytes long.
 Data: <P W&#227;&#246;           > 50 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C395186DF0, 16 bytes long.
 Data: <0 W&#227;&#246;           > 30 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C3951867B0, 16 bytes long.
 Data: <&#224; W&#227;&#246;           > E0 02 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C395186DA0, 16 bytes long.
 Data: <  W&#227;&#246;           > 10 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C395186A30, 16 bytes long.
 Data: <p W&#227;&#246;           > 70 04 57 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001C395186940, 16 bytes long.
 Data: < &#192;U&#227;&#246;           > 18 C0 55 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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