Task 38679182

Name test_366-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1961_0
Workunit 31620973
Created 26 Oct 2026, 19:43:11 UTC
Sent 26 Oct 2026, 19:43:14 UTC
Report deadline 31 Oct 2026, 19:43:14 UTC
Received 27 Oct 2026, 3:43:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 42 min 23 sec
CPU time 39 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.35 MB
Peak swap size 5.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:01:54 (3160): wrapper (7.9.26016): starting
22:01:54 (3160): 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
22:01:55 (3160): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:01:55 (3160): 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\10\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\10\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
22:43:26 (3160): C:/Windows/system32/cmd.exe exited; CPU time 2373.265625
22:43:26 (3160): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 39984751 bytes.
Dumping objects ->
{3835319} normal block at 0x000001EA3AA71880, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x000001EA3AA71420, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x000001EA3AA71110, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x000001EA38E3D880, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001EA38E3D810, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x000001EA3A9CC400, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001EA3AAB4CC0, 135 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) : {3835230} normal block at 0x000001EA38E36FF0, 8 bytes long.
 Data: <  z:&#234;   > 00 00 7A 3A EA 01 00 00 
{3834589} normal block at 0x000001EA3AAB44A0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001EA38E375E0, 8 bytes long.
 Data: <&#240;&#137;&#166;:&#234;   > F0 89 A6 3A EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001EA38E408B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EA38E2B230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001EA38E41EE0, 16 bytes long.
 Data: <8@&#228;8&#234;           > 38 40 E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EA38E41D00, 16 bytes long.
 Data: < @&#228;8&#234;           > 10 40 E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EA38E3C2A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001EA38E42520, 16 bytes long.
 Data: <&#232;?&#228;8&#234;           > E8 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EA38E42840, 16 bytes long.
 Data: <&#192;?&#228;8&#234;           > C0 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EA38E423E0, 16 bytes long.
 Data: < ?&#228;8&#234;           > 98 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EA38E422F0, 16 bytes long.
 Data: <p?&#228;8&#234;           > 70 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EA38E3D8F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001EA38E427F0, 16 bytes long.
 Data: <X&#210;&#227;8&#234;           > 58 D2 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA38E3C240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001EA38E41D50, 16 bytes long.
 Data: <0&#210;&#227;8&#234;           > 30 D2 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA38E41990, 16 bytes long.
 Data: < &#210;&#227;8&#234;           > 08 D2 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EA38E42250, 16 bytes long.
 Data: <&#224;&#209;&#227;8&#234;           > E0 D1 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA38E42020, 16 bytes long.
 Data: <&#184;&#209;&#227;8&#234;           > B8 D1 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EA38E42890, 16 bytes long.
 Data: < &#209;&#227;8&#234;           > 90 D1 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EA38E424D0, 16 bytes long.
 Data: <h&#209;&#227;8&#234;           > 68 D1 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EA38E3C600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001EA38E42200, 16 bytes long.
 Data: <@&#209;&#227;8&#234;           > 40 D1 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EA38E3D140, 320 bytes long.
 Data: < "&#228;8&#234;    &#198;&#227;8&#234;   > 00 22 E4 38 EA 01 00 00 00 C6 E3 38 EA 01 00 00 
{270} normal block at 0x000001EA38E41CB0, 16 bytes long.
 Data: <P?&#228;8&#234;           > 50 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EA38E41C10, 16 bytes long.
 Data: <(?&#228;8&#234;           > 28 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EA38E3C0C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001EA38E427A0, 16 bytes long.
 Data: < ?&#228;8&#234;           > 00 3F E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EA38E3BBE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001EA38E41A30, 16 bytes long.
 Data: <H>&#228;8&#234;           > 48 3E E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EA38E41C60, 16 bytes long.
 Data: < >&#228;8&#234;           > 20 3E E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EA38E42430, 16 bytes long.
 Data: <&#248;=&#228;8&#234;           > F8 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EA38E422A0, 16 bytes long.
 Data: <&#208;=&#228;8&#234;           > D0 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EA38E41B70, 16 bytes long.
 Data: <&#168;=&#228;8&#234;           > A8 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EA38E41E90, 16 bytes long.
 Data: < =&#228;8&#234;           > 80 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EA38E42750, 16 bytes long.
 Data: <&#208;&#217;&#227;8&#234;           > D0 D9 E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EA38E3D9D0, 40 bytes long.
 Data: <P'&#228;8&#234;    &#196;&#156;:&#234;   > 50 27 E4 38 EA 01 00 00 00 C4 9C 3A EA 01 00 00 
{256} normal block at 0x000001EA38E41A80, 16 bytes long.
 Data: <`=&#228;8&#234;           > 60 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EA38E41AD0, 16 bytes long.
 Data: <8=&#228;8&#234;           > 38 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001EA38E3BC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001EA38E41FD0, 16 bytes long.
 Data: < =&#228;8&#234;           > 10 3D E4 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001EA38E43D10, 992 bytes long.
 Data: <&#208; &#228;8&#234;   @&#188;&#227;8&#234;   > D0 1F E4 38 EA 01 00 00 40 BC E3 38 EA 01 00 00 
{88} normal block at 0x000001EA38E3C000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001EA38E36AF0, 16 bytes long.
 Data: < &#220;&#227;8&#234;           > 00 DC E3 38 EA 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001EA38E3DC00, 40 bytes long.
 Data: <&#240;j&#227;8&#234;    &#192;&#227;8&#234;   > F0 6A E3 38 EA 01 00 00 00 C0 E3 38 EA 01 00 00 
{65} normal block at 0x000001EA38E37810, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EA38E37590, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EA38E37540, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EA38E36F00, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EA38E374F0, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EA38E37720, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EA38E36F50, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EA38E374A0, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EA38E369B0, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001EA38E37450, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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