Task 38646945

Name	test_498-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9748_1
Workunit	31591335
Created	23 Oct 2026, 17:23:10 UTC
Sent	23 Oct 2026, 18:34:33 UTC
Report deadline	28 Oct 2026, 18:34:33 UTC
Received	23 Oct 2026, 20:01:09 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	641542
Run time	1 hours 4 min 54 sec
CPU time	1 hours 2 min 49 sec
Validate state	Valid
Credit	1,000.00
Device peak FLOPS	13,827.62 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	709.35 MB
Peak swap size	6.87 GB
Peak disk usage	3.18 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:47:56 (23964): wrapper (7.9.26016): starting
19:47:56 (23964): 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
19:47:59 (23964): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:47:59 (23964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\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\0\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835455} normal block at 0x000001FE4D9DFB60, 8 bytes long.
 Data: <   M    > 00 00 ED 4D FE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001FE4DA0D840, 1080 bytes long.
 Data: <D               > 44 11 00 00 CD CD CD CD F4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FE4D9DC8F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
20:20:44 (12984): wrapper (7.9.26016): starting
20:20:44 (12984): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
21:00:49 (12984): C:/Windows/system32/cmd.exe exited; CPU time 2403.890625
21:00:49 (12984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 39047150 bytes.
Dumping objects ->
{1883} normal block at 0x000002A3C8A954F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1872} normal block at 0x000002A3C8A95410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1861} normal block at 0x000002A3C8A956B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1850} normal block at 0x000002A3C8A953A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1839} normal block at 0x000002A3C8A95480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1808} normal block at 0x000002A3C8A7F830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1795} normal block at 0x000002A3C8A95F80, 8 bytes long.
 Data: <        > 00 00 EA C8 A3 02 00 00 
{311} normal block at 0x000002A3C8A96570, 8 bytes long.
 Data: < q      > D0 71 A9 C8 A3 02 00 00 
{302} normal block at 0x000002A3C8A86890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002A3C8A96B10, 16 bytes long.
 Data: < p              > D8 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002A3C8A969D0, 16 bytes long.
 Data: < p              > B0 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A3C8A8F8D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002A3C8A96A20, 16 bytes long.
 Data: < p              > 88 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A3C8A96980, 16 bytes long.
 Data: <`p              > 60 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A3C8A96930, 16 bytes long.
 Data: <8p              > 38 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A3C8A96480, 16 bytes long.
 Data: < p              > 10 70 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A3C8A95250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002A3C8A96160, 16 bytes long.
 Data: <                > 88 96 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A3C8A8FA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002A3C8A96AC0, 16 bytes long.
 Data: <`               > 60 96 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A3C8A962F0, 16 bytes long.
 Data: <8               > 38 96 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A3C8A967A0, 16 bytes long.
 Data: <                > 10 96 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A3C8A962A0, 16 bytes long.
 Data: <                > E8 95 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A3C8A96430, 16 bytes long.
 Data: <                > C0 95 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A3C8A96660, 16 bytes long.
 Data: <                > 98 95 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A3C8A8FCF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002A3C8A96520, 16 bytes long.
 Data: <p               > 70 95 A8 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A3C8A89570, 320 bytes long.
 Data: < e              > 20 65 A9 C8 A3 02 00 00 F0 FC A8 C8 A3 02 00 00 
{281} normal block at 0x000002A3C8A960C0, 16 bytes long.
 Data: < o              > F0 6F A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A3C8A963E0, 16 bytes long.
 Data: < o              > C8 6F A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A3C8A90470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002A3C8A96890, 16 bytes long.
 Data: < o              > A0 6F A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A3C8A90290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002A3C8A96610, 16 bytes long.
 Data: < n              > E8 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A3C8A964D0, 16 bytes long.
 Data: < n              > C0 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A3C8A96070, 16 bytes long.
 Data: < n              > 98 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A3C8A96390, 16 bytes long.
 Data: <pn              > 70 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A3C8A95E40, 16 bytes long.
 Data: <Hn              > 48 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A3C8A96A70, 16 bytes long.
 Data: < n              > 20 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A3C8A96340, 16 bytes long.
 Data: < X              > 00 58 A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A3C8A95800, 40 bytes long.
 Data: <@c      0       > 40 63 A9 C8 A3 02 00 00 30 F8 A7 C8 A3 02 00 00 
{267} normal block at 0x000002A3C8A96C50, 16 bytes long.
 Data: < n              > 00 6E A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A3C8A95DF0, 16 bytes long.
 Data: < m              > D8 6D A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A3C8A90350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002A3C8A968E0, 16 bytes long.
 Data: < m              > B0 6D A9 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A3C8A96DB0, 992 bytes long.
 Data: < h      P       > E0 68 A9 C8 A3 02 00 00 50 03 A9 C8 A3 02 00 00 
{99} normal block at 0x000002A3C8A8FB70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002A3C8A8DC90, 16 bytes long.
 Data: <@               > 40 C7 A7 C8 A3 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002A3C8A7C740, 40 bytes long.
 Data: <        p       > 90 DC A8 C8 A3 02 00 00 70 FB A8 C8 A3 02 00 00 
{76} normal block at 0x000002A3C8A8DDD0, 16 bytes long.
 Data: <                > 80 EA 90 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002A3C8A8DD80, 16 bytes long.
 Data: <@               > 40 E9 90 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002A3C8A8E370, 16 bytes long.
 Data: < W              > F8 57 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002A3C8A8E320, 16 bytes long.
 Data: < W              > D8 57 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A3C8A8E2D0, 16 bytes long.
 Data: <P               > 50 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A3C8A8DAB0, 16 bytes long.
 Data: <0               > 30 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A3C8A8E000, 16 bytes long.
 Data: <                > E0 02 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A3C8A8DE70, 16 bytes long.
 Data: <                > 10 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A3C8A8DF10, 16 bytes long.
 Data: <p               > 70 04 8D 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A3C8A8E6E0, 16 bytes long.
 Data: <                > 18 C0 8B 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>