Task 38681503

Name test_162-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7483_0
Workunit 31623167
Created 27 Oct 2026, 4:14:53 UTC
Sent 27 Oct 2026, 4:15:02 UTC
Report deadline 1 Nov 2026, 4:15:02 UTC
Received 27 Oct 2026, 4:46:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 30 min 23 sec
CPU time 27 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.57 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:16:22 (7688): wrapper (7.9.26016): starting
23:16:22 (7688): 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
23:16:24 (7688): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:16:24 (7688): 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\20\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\20\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
23:45:37 (7688): C:/Windows/system32/cmd.exe exited; CPU time 1642.359375
23:45:37 (7688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 31528077 bytes.
Dumping objects ->
{3835239} normal block at 0x0000025AEC451E20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000025AEC451D40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000025AEC451AA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000025AEC4518E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000025AEC451A30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000025AEE19AF80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000025AEC43EB90, 255 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) : {3835150} normal block at 0x0000025AEC44C5A0, 8 bytes long.
 Data: <  &#238;&#237;Z   > 00 00 EE ED 5A 02 00 00 
{3834551} normal block at 0x0000025AEC43F450, 255 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 0x0000025AEC44C870, 8 bytes long.
 Data: <@0+&#238;Z   > 40 30 2B EE 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000025AEC43F810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025AEC43A1F0, 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 0x0000025AEC452FB0, 16 bytes long.
 Data: < 6E&#236;Z           > 18 36 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025AEC452F10, 16 bytes long.
 Data: <&#240;5E&#236;Z           > F0 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025AEC44E100, 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 0x0000025AEC452CE0, 16 bytes long.
 Data: <&#200;5E&#236;Z           > C8 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025AEC452EC0, 16 bytes long.
 Data: <&#160;5E&#236;Z           > A0 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025AEC452650, 16 bytes long.
 Data: <x5E&#236;Z           > 78 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025AEC453140, 16 bytes long.
 Data: <P5E&#236;Z           > 50 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025AEC451720, 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 0x0000025AEC453050, 16 bytes long.
 Data: <&#248;&#215;C&#236;Z           > F8 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025AEC44D9E0, 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 0x0000025AEC453190, 16 bytes long.
 Data: <&#208;&#215;C&#236;Z           > D0 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025AEC452560, 16 bytes long.
 Data: <&#168;&#215;C&#236;Z           > A8 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025AEC453230, 16 bytes long.
 Data: < &#215;C&#236;Z           > 80 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025AEC452E70, 16 bytes long.
 Data: <X&#215;C&#236;Z           > 58 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025AEC452AB0, 16 bytes long.
 Data: <0&#215;C&#236;Z           > 30 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025AEC4530F0, 16 bytes long.
 Data: < &#215;C&#236;Z           > 08 D7 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025AEC44DDA0, 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 0x0000025AEC453000, 16 bytes long.
 Data: <&#224;&#214;C&#236;Z           > E0 D6 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025AEC43D6E0, 320 bytes long.
 Data: < 0E&#236;Z   &#160;&#221;D&#236;Z   > 00 30 45 EC 5A 02 00 00 A0 DD 44 EC 5A 02 00 00 
{269} normal block at 0x0000025AEC4527E0, 16 bytes long.
 Data: <05E&#236;Z           > 30 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025AEC452510, 16 bytes long.
 Data: < 5E&#236;Z           > 08 35 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025AEC44DE60, 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 0x0000025AEC452A60, 16 bytes long.
 Data: <&#224;4E&#236;Z           > E0 34 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025AEC44DB00, 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 0x0000025AEC4530A0, 16 bytes long.
 Data: <(4E&#236;Z           > 28 34 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025AEC452600, 16 bytes long.
 Data: < 4E&#236;Z           > 00 34 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025AEC452BF0, 16 bytes long.
 Data: <&#216;3E&#236;Z           > D8 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025AEC452D30, 16 bytes long.
 Data: <&#176;3E&#236;Z           > B0 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025AEC452DD0, 16 bytes long.
 Data: < 3E&#236;Z           > 88 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025AEC452830, 16 bytes long.
 Data: <`3E&#236;Z           > 60 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025AEC452970, 16 bytes long.
 Data: <&#240; E&#236;Z           > F0 1B 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025AEC451BF0, 40 bytes long.
 Data: <p)E&#236;Z    &#175; &#238;Z   > 70 29 45 EC 5A 02 00 00 80 AF 19 EE 5A 02 00 00 
{255} normal block at 0x0000025AEC452E20, 16 bytes long.
 Data: <@3E&#236;Z           > 40 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025AEC452C40, 16 bytes long.
 Data: < 3E&#236;Z           > 18 33 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025AEC44DFE0, 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 0x0000025AEC452920, 16 bytes long.
 Data: <&#240;2E&#236;Z           > F0 32 45 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000025AEC4532F0, 992 bytes long.
 Data: < )E&#236;Z   &#224;&#223;D&#236;Z   > 20 29 45 EC 5A 02 00 00 E0 DF 44 EC 5A 02 00 00 
{87} normal block at 0x0000025AEC44E160, 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 0x0000025AEC44D220, 16 bytes long.
 Data: <&#160;&#174;C&#236;Z           > A0 AE 43 EC 5A 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000025AEC43AEA0, 40 bytes long.
 Data: < &#210;D&#236;Z   `&#225;D&#236;Z   > 20 D2 44 EC 5A 02 00 00 60 E1 44 EC 5A 02 00 00 
{64} normal block at 0x0000025AEC44CFA0, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025AEC44C500, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025AEC44C690, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025AEC44CBE0, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025AEC44D130, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025AEC44CAA0, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025AEC44D1D0, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025AEC44C820, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025AEC44CA00, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025AEC44C6E0, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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