Task 38683651

Name	test_624-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND0684_0
Workunit	31625202
Created	27 Oct 2026, 12:42:43 UTC
Sent	27 Oct 2026, 12:42:46 UTC
Report deadline	1 Nov 2026, 12:42:46 UTC
Received	27 Oct 2026, 15:44:24 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	590723
Run time	50 min 54 sec
CPU time	47 min 49 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	721.20 MB
Peak swap size	8.36 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:43:05 (26344): wrapper (7.9.26016): starting
09:43:05 (26344): 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
09:43:06 (26344): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:43:06 (26344): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835420} normal block at 0x000001C4C3960AD0, 8 bytes long.
 Data: <        > 00 00 8E C3 C4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000001C4C5705730, 1080 bytes long.
 Data: < P      @       > EC 50 00 00 CD CD CD CD 40 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C4C3956180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:53:11 (6728): wrapper (7.9.26016): starting
09:53:11 (6728): 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.
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
10:44:05 (6728): C:/Windows/system32/cmd.exe exited; CPU time 2869.343750
10:44:05 (6728): 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: 47831482 bytes.
Dumping objects ->
{1850} normal block at 0x000001E68A856300, 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 0x000001E68A855FF0, 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 0x000001E68A855F80, 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 0x000001E68A855EA0, 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 0x000001E68A856530, 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 0x000001E68A83E560, 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 0x000001E68A857510, 8 bytes long.
 Data: <        > 00 00 C2 8A E6 01 00 00 
{309} normal block at 0x000001E68A856D40, 8 bytes long.
 Data: < |      > C0 7C 85 8A E6 01 00 00 
{300} normal block at 0x000001E68A848970, 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 0x000001E68A857380, 16 bytes long.
 Data: < {              > C8 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E68A857330, 16 bytes long.
 Data: < {              > A0 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E68A851080, 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 0x000001E68A8574C0, 16 bytes long.
 Data: <x{              > 78 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E68A856DE0, 16 bytes long.
 Data: <P{              > 50 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E68A856C00, 16 bytes long.
 Data: <({              > 28 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E68A856930, 16 bytes long.
 Data: < {              > 00 7B 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E68A855F10, 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 0x000001E68A857010, 16 bytes long.
 Data: <                > 18 F4 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E68A851D40, 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 0x000001E68A856FC0, 16 bytes long.
 Data: <                > F0 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E68A856E80, 16 bytes long.
 Data: <                > C8 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E68A8572E0, 16 bytes long.
 Data: <                > A0 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E68A857290, 16 bytes long.
 Data: <x               > 78 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E68A8577E0, 16 bytes long.
 Data: <P               > 50 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E68A856E30, 16 bytes long.
 Data: <(               > 28 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E68A851260, 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 0x000001E68A8571F0, 16 bytes long.
 Data: <                > 00 F3 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E68A83F300, 320 bytes long.
 Data: < q      `       > F0 71 85 8A E6 01 00 00 60 12 85 8A E6 01 00 00 
{279} normal block at 0x000001E68A857470, 16 bytes long.
 Data: < z              > E0 7A 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E68A8571A0, 16 bytes long.
 Data: < z              > B8 7A 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E68A851A40, 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 0x000001E68A856F20, 16 bytes long.
 Data: < z              > 90 7A 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E68A851020, 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 0x000001E68A857790, 16 bytes long.
 Data: < y              > D8 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E68A856F70, 16 bytes long.
 Data: < y              > B0 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E68A856CF0, 16 bytes long.
 Data: < y              > 88 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E68A856ED0, 16 bytes long.
 Data: <`y              > 60 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E68A857240, 16 bytes long.
 Data: <8y              > 38 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E68A857600, 16 bytes long.
 Data: < y              > 10 79 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E68A857420, 16 bytes long.
 Data: < e              > A0 65 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E68A8565A0, 40 bytes long.
 Data: < t      `       > 20 74 85 8A E6 01 00 00 60 E5 83 8A E6 01 00 00 
{265} normal block at 0x000001E68A8569D0, 16 bytes long.
 Data: < x              > F0 78 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E68A856A70, 16 bytes long.
 Data: < x              > C8 78 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E68A851500, 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 0x000001E68A856BB0, 16 bytes long.
 Data: < x              > A0 78 85 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E68A8578A0, 992 bytes long.
 Data: < k              > B0 6B 85 8A E6 01 00 00 00 15 85 8A E6 01 00 00 
{97} normal block at 0x000001E68A8513E0, 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 0x000001E68A84F4E0, 16 bytes long.
 Data: <                > F0 E4 83 8A E6 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E68A83E4F0, 40 bytes long.
 Data: <                > E0 F4 84 8A E6 01 00 00 E0 13 85 8A E6 01 00 00 
{74} normal block at 0x000001E68A84FBC0, 16 bytes long.
 Data: <                > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E68A84FC60, 16 bytes long.
 Data: <@               > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E68A84F940, 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 0x000001E68A84FB70, 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 0x000001E68A84F580, 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 0x000001E68A84F3F0, 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 0x000001E68A84FB20, 16 bytes long.
 Data: <                > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E68A84FD50, 16 bytes long.
 Data: <                > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E68A84F8A0, 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 0x000001E68A84F8F0, 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>
]]>