Task 38678591

Name	test_332-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3019_0
Workunit	31620404
Created	26 Oct 2026, 17:53:55 UTC
Sent	26 Oct 2026, 17:53:58 UTC
Report deadline	31 Oct 2026, 17:53:58 UTC
Received	27 Oct 2026, 3:25:06 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	638078
Run time	20 min 18 sec
CPU time	17 min 15 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	51,075.63 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	806.02 MB
Peak swap size	10.08 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:43:15 (41556): wrapper (7.9.26016): starting
19:43:15 (41556): 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
19:43:16 (41556): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:43:16 (41556): 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\24\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\24\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) : {3835382} normal block at 0x0000017D72FBD670, 8 bytes long.
 Data: <  bs}   > 00 00 62 73 7D 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000017D74DC4C50, 1080 bytes long.
 Data: <                > 8C 81 00 00 CD CD CD CD D4 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017D72FC11B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
04:17:16 (11644): wrapper (7.9.26016): starting
04:17:16 (11644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\ProgramData\BOINC\slots\24\tmp.
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
04:24:50 (11644): C:/Windows/system32/cmd.exe exited; CPU time 430.156250
04:24:50 (11644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 9843006 bytes.
Dumping objects ->
{1812} normal block at 0x0000028EB1AD5B90, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1801} normal block at 0x0000028EB1AD5B20, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1790} normal block at 0x0000028EB1AD5CE0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1779} normal block at 0x0000028EB1AD5E30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1768} normal block at 0x0000028EB1AD5F10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{1737} normal block at 0x0000028EB1ABC4B0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{1726} normal block at 0x0000028EB1ABC410, 85 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) : {1723} normal block at 0x0000028EB1AD7590, 8 bytes long.
 Data: <  g     > 00 00 67 B3 8E 02 00 00 
{1004} normal block at 0x0000028EB1ABB870, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{310} normal block at 0x0000028EB1AD6690, 8 bytes long.
 Data: < z      > 20 7A AD B1 8E 02 00 00 
{301} normal block at 0x0000028EB1AC7CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000028EB1AD74A0, 16 bytes long.
 Data: <(y              > 28 79 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028EB1AD6DC0, 16 bytes long.
 Data: < y              > 00 79 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028EB1ACFF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000028EB1AD7270, 16 bytes long.
 Data: < x              > D8 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028EB1AD6D70, 16 bytes long.
 Data: < x              > B0 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028EB1AD6F00, 16 bytes long.
 Data: < x              > 88 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028EB1AD7090, 16 bytes long.
 Data: <`x              > 60 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028EB1AD5880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000028EB1AD6E60, 16 bytes long.
 Data: <                > 08 B8 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028EB1AD0AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000028EB1AD7220, 16 bytes long.
 Data: <                > E0 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028EB1AD6C80, 16 bytes long.
 Data: <                > B8 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028EB1AD74F0, 16 bytes long.
 Data: <                > 90 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028EB1AD7450, 16 bytes long.
 Data: <h               > 68 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028EB1AD7310, 16 bytes long.
 Data: <@               > 40 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028EB1AD6A00, 16 bytes long.
 Data: <                > 18 B7 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028EB1ACFDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000028EB1AD6E10, 16 bytes long.
 Data: <                > F0 B6 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028EB1ABB6F0, 320 bytes long.
 Data: < n              > 10 6E AD B1 8E 02 00 00 D0 FD AC B1 8E 02 00 00 
{280} normal block at 0x0000028EB1AD71D0, 16 bytes long.
 Data: <@x              > 40 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028EB1AD6730, 16 bytes long.
 Data: < x              > 18 78 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028EB1AD0610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000028EB1AD7040, 16 bytes long.
 Data: < w              > F0 77 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028EB1AD09D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000028EB1AD6D20, 16 bytes long.
 Data: <8w              > 38 77 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028EB1AD6640, 16 bytes long.
 Data: < w              > 10 77 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028EB1AD7180, 16 bytes long.
 Data: < v              > E8 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028EB1AD67D0, 16 bytes long.
 Data: < v              > C0 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028EB1AD6A50, 16 bytes long.
 Data: < v              > 98 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028EB1AD7540, 16 bytes long.
 Data: <pv              > 70 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028EB1AD6F50, 16 bytes long.
 Data: < \              > 00 5C AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028EB1AD5C00, 40 bytes long.
 Data: <Po              > 50 6F AD B1 8E 02 00 00 B0 C4 AB B1 8E 02 00 00 
{266} normal block at 0x0000028EB1AD6CD0, 16 bytes long.
 Data: <Pv              > 50 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028EB1AD6AF0, 16 bytes long.
 Data: <(v              > 28 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028EB1AD0490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000028EB1AD72C0, 16 bytes long.
 Data: < v              > 00 76 AD B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028EB1AD7600, 992 bytes long.
 Data: < r              > C0 72 AD B1 8E 02 00 00 90 04 AD B1 8E 02 00 00 
{98} normal block at 0x0000028EB1AD03D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000028EB1ACEA00, 16 bytes long.
 Data: <                > F0 F1 AB B1 8E 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000028EB1ABF1F0, 40 bytes long.
 Data: <                > 00 EA AC B1 8E 02 00 00 D0 03 AD B1 8E 02 00 00 
{75} normal block at 0x0000028EB1ACEE60, 16 bytes long.
 Data: <                > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000028EB1ACE4B0, 16 bytes long.
 Data: <@               > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028EB1ACEF50, 16 bytes long.
 Data: < W              > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028EB1ACE460, 16 bytes long.
 Data: < W              > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028EB1ACEDC0, 16 bytes long.
 Data: <P               > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028EB1ACE3C0, 16 bytes long.
 Data: <0               > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028EB1ACE640, 16 bytes long.
 Data: <                > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028EB1ACED20, 16 bytes long.
 Data: <                > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028EB1ACE370, 16 bytes long.
 Data: <p               > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028EB1ACEA50, 16 bytes long.
 Data: <                > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>