Task 38682367

Name test_150-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3898_0
Workunit 31623984
Created 27 Oct 2026, 7:31:30 UTC
Sent 27 Oct 2026, 7:31:35 UTC
Report deadline 1 Nov 2026, 7:31:35 UTC
Received 27 Oct 2026, 9:03:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 44 min 49 sec
CPU time 40 min 26 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 667.20 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>
03:19:20 (12656): wrapper (7.9.26016): starting
03:19:20 (12656): 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
03:19:21 (12656): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:19:21 (12656): 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\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 'D:\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
04:03:04 (12656): C:/Windows/system32/cmd.exe exited; CPU time 2426.281250
04:03:04 (12656): 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: 41896949 bytes.
Dumping objects ->
{3835319} normal block at 0x00000205F0953500, 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 0x00000205F0953110, 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 0x00000205F0952BD0, 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 0x00000205EEBFDB30, 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 0x00000205EEBFD9E0, 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 0x00000205F083C590, 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 0x00000205F0929DB0, 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 0x00000205EEBF7000, 8 bytes long.
 Data: <  _&#240;    > 00 00 5F F0 05 02 00 00 
{3834589} normal block at 0x00000205F0929320, 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 0x00000205EEBF7370, 8 bytes long.
 Data: <  &#149;&#240;    > 90 88 95 F0 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000205EEC008C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000205EEBEB690, 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 0x00000205EEC02850, 16 bytes long.
 Data: <H@&#192;&#238;            > 48 40 C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000205EEC02800, 16 bytes long.
 Data: < @&#192;&#238;            > 20 40 C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205EEBFB950, 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 0x00000205EEC02760, 16 bytes long.
 Data: <&#248;?&#192;&#238;            > F8 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205EEC02300, 16 bytes long.
 Data: <&#208;?&#192;&#238;            > D0 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000205EEC01B30, 16 bytes long.
 Data: <&#168;?&#192;&#238;            > A8 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000205EEC019F0, 16 bytes long.
 Data: < ?&#192;&#238;            > 80 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205EEBFD740, 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 0x00000205EEC022B0, 16 bytes long.
 Data: <h&#210;&#191;&#238;            > 68 D2 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205EEBFB830, 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 0x00000205EEC02210, 16 bytes long.
 Data: <@&#210;&#191;&#238;            > 40 D2 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000205EEC028A0, 16 bytes long.
 Data: < &#210;&#191;&#238;            > 18 D2 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000205EEC021C0, 16 bytes long.
 Data: <&#240;&#209;&#191;&#238;            > F0 D1 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205EEC01D10, 16 bytes long.
 Data: <&#200;&#209;&#191;&#238;            > C8 D1 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000205EEC01AE0, 16 bytes long.
 Data: <&#160;&#209;&#191;&#238;            > A0 D1 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205EEC01A40, 16 bytes long.
 Data: <x&#209;&#191;&#238;            > 78 D1 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205EEBFC550, 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 0x00000205EEC026C0, 16 bytes long.
 Data: <P&#209;&#191;&#238;            > 50 D1 BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205EEBFD150, 320 bytes long.
 Data: <&#192;&&#192;&#238;    P&#197;&#191;&#238;    > C0 26 C0 EE 05 02 00 00 50 C5 BF EE 05 02 00 00 
{270} normal block at 0x00000205EEC02170, 16 bytes long.
 Data: <`?&#192;&#238;            > 60 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000205EEC02120, 16 bytes long.
 Data: <8?&#192;&#238;            > 38 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000205EEBFC430, 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 0x00000205EEC01F40, 16 bytes long.
 Data: < ?&#192;&#238;            > 10 3F C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205EEBFC4F0, 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 0x00000205EEC025D0, 16 bytes long.
 Data: <X>&#192;&#238;            > 58 3E C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205EEC01EF0, 16 bytes long.
 Data: <0>&#192;&#238;            > 30 3E C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000205EEC01C20, 16 bytes long.
 Data: < >&#192;&#238;            > 08 3E C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000205EEC02440, 16 bytes long.
 Data: <&#224;=&#192;&#238;            > E0 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000205EEC02260, 16 bytes long.
 Data: <&#184;=&#192;&#238;            > B8 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000205EEC01FE0, 16 bytes long.
 Data: < =&#192;&#238;            > 90 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000205EEC01CC0, 16 bytes long.
 Data: < &#220;&#191;&#238;            > 10 DC BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000205EEBFDC10, 40 bytes long.
 Data: <&#192; &#192;&#238;     &#197;&#131;&#240;    > C0 1C C0 EE 05 02 00 00 90 C5 83 F0 05 02 00 00 
{256} normal block at 0x00000205EEC019A0, 16 bytes long.
 Data: <p=&#192;&#238;            > 70 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000205EEC02080, 16 bytes long.
 Data: <H=&#192;&#238;            > 48 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000205EEBFC190, 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 0x00000205EEC01950, 16 bytes long.
 Data: < =&#192;&#238;            > 20 3D C0 EE 05 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000205EEC03D20, 992 bytes long.
 Data: <P &#192;&#238;     &#193;&#191;&#238;    > 50 19 C0 EE 05 02 00 00 90 C1 BF EE 05 02 00 00 
{88} normal block at 0x00000205EEBFBFB0, 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 0x00000205EEBF6B00, 16 bytes long.
 Data: <P&#218;&#191;&#238;            > 50 DA BF EE 05 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000205EEBFDA50, 40 bytes long.
 Data: < k&#191;&#238;    &#176;&#191;&#191;&#238;    > 00 6B BF EE 05 02 00 00 B0 BF BF EE 05 02 00 00 
{65} normal block at 0x00000205EEBF7320, 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 0x00000205EEBF76E0, 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 0x00000205EEBF6CE0, 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 0x00000205EEBF6E20, 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 0x00000205EEBF7690, 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 0x00000205EEBF6C40, 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 0x00000205EEBF7820, 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 0x00000205EEBF77D0, 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 0x00000205EEBF71E0, 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 0x00000205EEBF7230, 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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