Task 38684852

Name	test_794-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6563_0
Workunit	31626353
Created	27 Oct 2026, 18:17:03 UTC
Sent	27 Oct 2026, 18:17:16 UTC
Report deadline	1 Nov 2026, 18:17:16 UTC
Received	27 Oct 2026, 19:29:22 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	644675
Run time	28 min 28 sec
CPU time	23 min 12 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	56,774.19 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	760.21 MB
Peak swap size	10.04 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
14:33:20 (18368): wrapper (7.9.26016): starting
14:33:20 (18368): 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
14:33:22 (18368): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:33:22 (18368): 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\8\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\8\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) : {3835514} normal block at 0x0000028DBBE8BBE0, 8 bytes long.
 Data: <  '     > 00 00 27 BC 8D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x0000028DBDC46D30, 1080 bytes long.
 Data: <`       H       > 60 13 00 00 CD CD CD CD 48 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000028DBBE92900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:59:32 (5588): wrapper (7.9.26016): starting
14:59:32 (5588): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001CD6F8E8350, 8 bytes long.
 Data: <   o    > 00 00 DA 6F CD 01 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001CD6F8E8B50, 1080 bytes long.
 Data: <        D       > B8 9B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
15:03:12 (56660): wrapper (7.9.26016): starting
15:03:12 (56660): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001F0E5947A00, 8 bytes long.
 Data: <        > 00 00 F0 E5 F0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001F0E5948A20, 1080 bytes long.
 Data: <        H       > E8 E1 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
15:04:38 (57804): wrapper (7.9.26016): starting
15:04:38 (57804): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000002687AD57CA0, 8 bytes long.
 Data: <   zh   > 00 00 CD 7A 68 02 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000002687AD58B30, 1080 bytes long.
 Data: <@       D       > 40 88 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
15:09:16 (43760): wrapper (7.9.26016): starting
15:09:16 (43760): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000023FF5867BE0, 8 bytes long.
 Data: <    ?   > 00 00 D5 F5 3F 02 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000023FF58687A0, 1080 bytes long.
 Data: <        @       > DC D8 00 00 CD CD CD CD 40 01 00 00 00 00 00 00 
Object dump complete.
15:12:39 (30204): wrapper (7.9.26016): starting
15:12:39 (30204): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001C8261A7EB0, 8 bytes long.
 Data: <  {&    > 00 00 7B 26 C8 01 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001C8261A8A20, 1080 bytes long.
 Data: <                > D8 A4 00 00 CD CD CD CD BC 00 00 00 00 00 00 00 
Object dump complete.
15:15:13 (58232): wrapper (7.9.26016): starting
15:15:13 (58232): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x00000182755F7980, 8 bytes long.
 Data: <   u    > 00 00 BC 75 82 01 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000182755F8B30, 1080 bytes long.
 Data: <        H       > F4 BA 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
15:20:06 (38356): wrapper (7.9.26016): starting
15:20:06 (38356): 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\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000023351278040, 8 bytes long.
 Data: <  dQ3   > 00 00 64 51 33 02 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000023351278A20, 1080 bytes long.
 Data: <        L       > 00 C2 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
15:26:44 (58040): wrapper (7.9.26016): starting
15:26:44 (58040): 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\8\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
15:28:45 (58040): C:/Windows/system32/cmd.exe exited; CPU time 80.906250
15:28:45 (58040): 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: 3220372 bytes.
Dumping objects ->
{1941} normal block at 0x000001F4307B6B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1930} normal block at 0x000001F4307B6E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1919} normal block at 0x000001F4307B6D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1908} normal block at 0x000001F4307B6840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1897} normal block at 0x000001F4307B6760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1866} normal block at 0x000001F43079D940, 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) : {1853} normal block at 0x000001F4307B79D0, 8 bytes long.
 Data: <   0    > 00 00 B7 30 F4 01 00 00 
{312} normal block at 0x000001F4307B7C50, 8 bytes long.
 Data: <0 {0    > 30 8B 7B 30 F4 01 00 00 
{303} normal block at 0x000001F4307A7950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x000001F4307B8240, 16 bytes long.
 Data: <8 {0            > 38 8A 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F4307B85B0, 16 bytes long.
 Data: <  {0            > 10 8A 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F4307B11B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x000001F4307B7F20, 16 bytes long.
 Data: <  {0            > E8 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F4307B81F0, 16 bytes long.
 Data: <  {0            > C0 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F4307B8470, 16 bytes long.
 Data: <  {0            > 98 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F4307B7980, 16 bytes long.
 Data: <p {0            > 70 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F4307B6AE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x000001F4307B7930, 16 bytes long.
 Data: <  z0            > 18 05 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F4307B0910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x000001F4307B81A0, 16 bytes long.
 Data: <  z0            > F0 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F4307B8150, 16 bytes long.
 Data: <  z0            > C8 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F4307B8100, 16 bytes long.
 Data: <  z0            > A0 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F4307B8420, 16 bytes long.
 Data: <x z0            > 78 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F4307B8650, 16 bytes long.
 Data: <P z0            > 50 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F4307B7AC0, 16 bytes long.
 Data: <( z0            > 28 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F4307B0850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x000001F4307B7BB0, 16 bytes long.
 Data: <  z0            > 00 04 7A 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F4307A0400, 320 bytes long.
 Data: < {{0    P {0    > B0 7B 7B 30 F4 01 00 00 50 08 7B 30 F4 01 00 00 
{282} normal block at 0x000001F4307B82E0, 16 bytes long.
 Data: <P {0            > 50 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F4307B78E0, 16 bytes long.
 Data: <( {0            > 28 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F4307B0E50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x000001F4307B7D40, 16 bytes long.
 Data: <  {0            > 00 89 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F4307B0F10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x000001F4307B7890, 16 bytes long.
 Data: <H {0            > 48 88 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F4307B77A0, 16 bytes long.
 Data: <  {0            > 20 88 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F4307B83D0, 16 bytes long.
 Data: <  {0            > F8 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F4307B7840, 16 bytes long.
 Data: <  {0            > D0 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F4307B7B10, 16 bytes long.
 Data: <  {0            > A8 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F4307B7F70, 16 bytes long.
 Data: <  {0            > 80 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F4307B8600, 16 bytes long.
 Data: < g{0            > D0 67 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F4307B67D0, 40 bytes long.
 Data: <  {0    @ y0    > 00 86 7B 30 F4 01 00 00 40 D9 79 30 F4 01 00 00 
{268} normal block at 0x000001F4307B7A20, 16 bytes long.
 Data: <` {0            > 60 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F4307B7A70, 16 bytes long.
 Data: <8 {0            > 38 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F4307B0730, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x000001F4307B8290, 16 bytes long.
 Data: <  {0            > 10 87 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F4307B8710, 992 bytes long.
 Data: <  {0    0 {0    > 90 82 7B 30 F4 01 00 00 30 07 7B 30 F4 01 00 00 
{100} normal block at 0x000001F4307B0610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000001F4307AC0F0, 16 bytes long.
 Data: < l{0            > A0 6C 7B 30 F4 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000001F4307B6CA0, 40 bytes long.
 Data: <  z0      {0    > F0 C0 7A 30 F4 01 00 00 10 06 7B 30 F4 01 00 00 
{77} normal block at 0x000001F4307AC4B0, 16 bytes long.
 Data: <  `             > 80 EA 60 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001F4307ABFB0, 16 bytes long.
 Data: <@ `             > 40 E9 60 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001F4307AC910, 16 bytes long.
 Data: < W]             > F8 57 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F4307AC3C0, 16 bytes long.
 Data: < W]             > D8 57 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F4307AC2D0, 16 bytes long.
 Data: <P ]             > 50 04 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F4307ABF10, 16 bytes long.
 Data: <0 ]             > 30 04 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F4307ACA00, 16 bytes long.
 Data: <  ]             > E0 02 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F4307AC410, 16 bytes long.
 Data: <  ]             > 10 04 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F4307ABCE0, 16 bytes long.
 Data: <p ]             > 70 04 5D 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F4307ABC90, 16 bytes long.
 Data: <  [             > 18 C0 5B 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>