Task 38684339

Name	test_225-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND6833_0
Workunit	31625854
Created	27 Oct 2026, 15:54:15 UTC
Sent	27 Oct 2026, 15:54:17 UTC
Report deadline	1 Nov 2026, 15:54:17 UTC
Received	27 Oct 2026, 18:58:31 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	590723
Run time	49 min 43 sec
CPU time	45 min 23 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	9,255.46 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	696.10 MB
Peak swap size	8.37 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:40:22 (19900): wrapper (7.9.26016): starting
12:40:22 (19900): 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
12:40:23 (19900): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:40:23 (19900): 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\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) : {3835420} normal block at 0x000002B8E6DD0490, 8 bytes long.
 Data: <  &     > 00 00 26 E7 B8 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000002B8E8BE5670, 1080 bytes long.
 Data: < /      \       > C4 2F 00 00 CD CD CD CD 5C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B8E6DC6400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:12:26 (28608): wrapper (7.9.26016): starting
13:12:26 (28608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1762} normal block at 0x000002C186316080, 8 bytes long.
 Data: <  +     > 00 00 2B 86 C1 02 00 00 
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000002C186317000, 1080 bytes long.
 Data: < A      L       > D0 41 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
13:17:31 (3164): wrapper (7.9.26016): starting
13:17:31 (3164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
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
13:58:12 (3164): C:/Windows/system32/cmd.exe exited; CPU time 2276.546875
13:58:12 (3164): 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: 38043034 bytes.
Dumping objects ->
{1850} normal block at 0x000001AB69EC5610, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1839} normal block at 0x000001AB69EC5290, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1828} normal block at 0x000001AB69EC54C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1817} normal block at 0x000001AB69EC57D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1806} normal block at 0x000001AB69EC5370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1775} normal block at 0x000001AB69EAFFC0, 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) : {1762} normal block at 0x000001AB69EC5B60, 8 bytes long.
 Data: <  7j    > 00 00 37 6A AB 01 00 00 
{309} normal block at 0x000001AB69EC5B10, 8 bytes long.
 Data: < n i    > F0 6E EC 69 AB 01 00 00 
{300} normal block at 0x000001AB69EB7B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001AB69EC69C0, 16 bytes long.
 Data: < m i            > F8 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AB69EC6880, 16 bytes long.
 Data: < m i            > D0 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AB69EC1BF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001AB69EC6970, 16 bytes long.
 Data: < m i            > A8 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AB69EC6830, 16 bytes long.
 Data: < m i            > 80 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AB69EC61F0, 16 bytes long.
 Data: <Xm i            > 58 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AB69EC6470, 16 bytes long.
 Data: <0m i            > 30 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AB69EC5680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001AB69EC5BB0, 16 bytes long.
 Data: <   i            > 88 F3 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AB69EC14D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001AB69EC6290, 16 bytes long.
 Data: <`  i            > 60 F3 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AB69EC6A60, 16 bytes long.
 Data: <8  i            > 38 F3 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AB69EC67E0, 16 bytes long.
 Data: <   i            > 10 F3 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AB69EC6240, 16 bytes long.
 Data: <   i            > E8 F2 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AB69EC5C00, 16 bytes long.
 Data: <   i            > C0 F2 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AB69EC6650, 16 bytes long.
 Data: <   i            > 98 F2 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AB69EC1710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001AB69EC6560, 16 bytes long.
 Data: <p  i            > 70 F2 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AB69EAF270, 320 bytes long.
 Data: <`e i       i    > 60 65 EC 69 AB 01 00 00 10 17 EC 69 AB 01 00 00 
{279} normal block at 0x000001AB69EC5F20, 16 bytes long.
 Data: < m i            > 10 6D EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AB69EC64C0, 16 bytes long.
 Data: < l i            > E8 6C EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AB69EC19B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001AB69EC6920, 16 bytes long.
 Data: < l i            > C0 6C EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AB69EC1EF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001AB69EC6420, 16 bytes long.
 Data: < l i            > 08 6C EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AB69EC6060, 16 bytes long.
 Data: < k i            > E0 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AB69EC6A10, 16 bytes long.
 Data: < k i            > B8 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AB69EC5CA0, 16 bytes long.
 Data: < k i            > 90 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AB69EC6740, 16 bytes long.
 Data: <hk i            > 68 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AB69EC63D0, 16 bytes long.
 Data: <@k i            > 40 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AB69EC6380, 16 bytes long.
 Data: < S i            > E0 53 EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AB69EC53E0, 40 bytes long.
 Data: < c i       i    > 80 63 EC 69 AB 01 00 00 C0 FF EA 69 AB 01 00 00 
{265} normal block at 0x000001AB69EC66F0, 16 bytes long.
 Data: < k i            > 20 6B EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AB69EC6330, 16 bytes long.
 Data: < j i            > F8 6A EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AB69EC1530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001AB69EC6150, 16 bytes long.
 Data: < j i            > D0 6A EC 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AB69EC6AD0, 992 bytes long.
 Data: <Pa i    0  i    > 50 61 EC 69 AB 01 00 00 30 15 EC 69 AB 01 00 00 
{97} normal block at 0x000001AB69EC1290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001AB69EC0F30, 16 bytes long.
 Data: <   i            > 10 C7 EA 69 AB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001AB69EAC710, 40 bytes long.
 Data: <0  i       i    > 30 0F EC 69 AB 01 00 00 90 12 EC 69 AB 01 00 00 
{74} normal block at 0x000001AB69EC0260, 16 bytes long.
 Data: <                > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001AB69EC0C10, 16 bytes long.
 Data: <@               > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001AB69EC0CB0, 16 bytes long.
 Data: < W              > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AB69EC02B0, 16 bytes long.
 Data: < W              > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AB69EC0C60, 16 bytes long.
 Data: <P               > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AB69EC0AD0, 16 bytes long.
 Data: <0               > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AB69EC0210, 16 bytes long.
 Data: <                > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AB69EC0440, 16 bytes long.
 Data: <                > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AB69EBFFE0, 16 bytes long.
 Data: <p               > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AB69EC01C0, 16 bytes long.
 Data: <                > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>