Task 38682111

Name test_436-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND2298_0
Workunit 31623745
Created 27 Oct 2026, 6:38:01 UTC
Sent 27 Oct 2026, 6:38:09 UTC
Report deadline 1 Nov 2026, 6:38:09 UTC
Received 27 Oct 2026, 7:08:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 29 min 23 sec
CPU time 26 min 55 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 712.94 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>
01:39:28 (17780): wrapper (7.9.26016): starting
01:39:28 (17780): 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
01:39:31 (17780): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:39:31 (17780): 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
02:07:45 (17780): C:/Windows/system32/cmd.exe exited; CPU time 1615.000000
02:07:45 (17780): 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: 30783023 bytes.
Dumping objects ->
{3835239} normal block at 0x0000021A866F1A50, 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 0x0000021A866F19E0, 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 0x0000021A866F1510, 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 0x0000021A866F1900, 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 0x0000021A866F1890, 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 0x0000021A882DB400, 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 0x0000021A866DECA0, 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 0x0000021A866EC5C0, 8 bytes long.
 Data: <  &#251;&#135;    > 00 00 FB 87 1A 02 00 00 
{3834551} normal block at 0x0000021A866DF560, 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 0x0000021A866EC750, 8 bytes long.
 Data: < =v&#134;    > 10 3D 76 86 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000021A866DF7E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021A866DE200, 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 0x0000021A866F2060, 16 bytes long.
 Data: <x4o&#134;            > 78 34 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021A866F2C40, 16 bytes long.
 Data: <P4o&#134;            > 50 34 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021A866EE1F0, 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 0x0000021A866F2920, 16 bytes long.
 Data: <(4o&#134;            > 28 34 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021A866F2510, 16 bytes long.
 Data: < 4o&#134;            > 00 34 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021A866F1E80, 16 bytes long.
 Data: <&#216;3o&#134;            > D8 33 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021A866F2010, 16 bytes long.
 Data: <&#176;3o&#134;            > B0 33 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021A866F16D0, 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 0x0000021A866F28D0, 16 bytes long.
 Data: < &#233;m&#134;            > 08 E9 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021A866ED950, 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 0x0000021A866F1F20, 16 bytes long.
 Data: <&#224;&#232;m&#134;            > E0 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021A866F24C0, 16 bytes long.
 Data: <&#184;&#232;m&#134;            > B8 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021A866F1FC0, 16 bytes long.
 Data: < &#232;m&#134;            > 90 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021A866F2830, 16 bytes long.
 Data: <h&#232;m&#134;            > 68 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021A866F2380, 16 bytes long.
 Data: <@&#232;m&#134;            > 40 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021A866F1D90, 16 bytes long.
 Data: < &#232;m&#134;            > 18 E8 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021A866EE190, 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 0x0000021A866F2470, 16 bytes long.
 Data: <&#240;&#231;m&#134;            > F0 E7 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021A866DE7F0, 320 bytes long.
 Data: <p$o&#134;     &#225;n&#134;    > 70 24 6F 86 1A 02 00 00 90 E1 6E 86 1A 02 00 00 
{269} normal block at 0x0000021A866F2CE0, 16 bytes long.
 Data: < 3o&#134;            > 90 33 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021A866F27E0, 16 bytes long.
 Data: <h3o&#134;            > 68 33 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021A866ED470, 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 0x0000021A866F1E30, 16 bytes long.
 Data: <@3o&#134;            > 40 33 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021A866EDD70, 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 0x0000021A866F1DE0, 16 bytes long.
 Data: < 2o&#134;            > 88 32 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021A866F2790, 16 bytes long.
 Data: <`2o&#134;            > 60 32 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021A866F2420, 16 bytes long.
 Data: <82o&#134;            > 38 32 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021A866F2880, 16 bytes long.
 Data: < 2o&#134;            > 10 32 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021A866F2330, 16 bytes long.
 Data: <&#232;1o&#134;            > E8 31 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021A866F2560, 16 bytes long.
 Data: <&#192;1o&#134;            > C0 31 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021A866F22E0, 16 bytes long.
 Data: <` o&#134;            > 60 16 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021A866F1660, 40 bytes long.
 Data: <&#224;"o&#134;     &#180;-     > E0 22 6F 86 1A 02 00 00 00 B4 2D 88 1A 02 00 00 
{255} normal block at 0x0000021A866F2650, 16 bytes long.
 Data: <&#160;1o&#134;            > A0 31 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021A866F2740, 16 bytes long.
 Data: <x1o&#134;            > 78 31 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021A866ED7D0, 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 0x0000021A866F2150, 16 bytes long.
 Data: <P1o&#134;            > 50 31 6F 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021A866F3150, 992 bytes long.
 Data: <P!o&#134;    &#208;&#215;n&#134;    > 50 21 6F 86 1A 02 00 00 D0 D7 6E 86 1A 02 00 00 
{87} normal block at 0x0000021A866EE0D0, 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 0x0000021A866ECAC0, 16 bytes long.
 Data: <&#240;&#161;m&#134;            > F0 A1 6D 86 1A 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000021A866DA1F0, 40 bytes long.
 Data: <&#192;&#202;n&#134;    &#208;&#224;n&#134;    > C0 CA 6E 86 1A 02 00 00 D0 E0 6E 86 1A 02 00 00 
{64} normal block at 0x0000021A866ECD90, 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 0x0000021A866ECD40, 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 0x0000021A866EC390, 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 0x0000021A866EC980, 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 0x0000021A866EC930, 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 0x0000021A866ECCF0, 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 0x0000021A866ECA70, 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 0x0000021A866EC840, 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 0x0000021A866ECDE0, 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 0x0000021A866ECCA0, 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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