Task 38670471

Name	test_560-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3916_0
Workunit	31612720
Created	25 Oct 2026, 17:38:34 UTC
Sent	25 Oct 2026, 17:38:39 UTC
Report deadline	30 Oct 2026, 17:38:39 UTC
Received	25 Oct 2026, 21:41:08 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	637963
Run time	41 min 4 sec
CPU time	41 min 4 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	12,956.20 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	718.07 MB
Peak swap size	6.89 GB
Peak disk usage	4.10 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:26:27 (11336): wrapper (7.9.26016): starting
14:26:27 (11336): 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
14:26:28 (11336): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:26:28 (11336): 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\14\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\14\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) : {3846230} normal block at 0x000001550D9CDE40, 8 bytes long.
 Data: <    U   > 00 00 E7 0D 55 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3844837} normal block at 0x000001550F8258B0, 1080 bytes long.
 Data: <                > 9C 1C 00 00 CD CD CD CD E8 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001550D9D1770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:37:50 (6632): wrapper (7.9.26016): starting
14:37:50 (6632): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001B575FC6540, 8 bytes long.
 Data: <  Jv    > 00 00 4A 76 B5 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001B575FC6AC0, 1080 bytes long.
 Data: <lx      L       > 6C 78 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
14:41:25 (24028): wrapper (7.9.26016): starting
14:41:25 (24028): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001DB59F16900, 8 bytes long.
 Data: <  9Z    > 00 00 39 5A DB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DB59F16DE0, 1080 bytes long.
 Data: <x#      H       > 78 23 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
15:42:40 (28764): wrapper (7.9.26016): starting
15:42:40 (28764): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000002272AE65FF0, 8 bytes long.
 Data: <   *'   > 00 00 DF 2A 27 02 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002272AE66DE0, 1080 bytes long.
 Data: < X      H       > B8 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
15:47:01 (240): wrapper (7.9.26016): starting
15:47:01 (240): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x00000278BB785E70, 8 bytes long.
 Data: <    x   > 00 00 BE BB 78 02 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000278BB786DF0, 1080 bytes long.
 Data: <(x              > 28 78 00 00 CD CD CD CD B4 00 00 00 00 00 00 00 
Object dump complete.
15:57:18 (26980): wrapper (7.9.26016): starting
15:57:18 (26980): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000002D66D125CD0, 8 bytes long.
 Data: <  Vm    > 00 00 56 6D D6 02 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002D66D126DE0, 1080 bytes long.
 Data: < u      L       > 9C 75 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
16:21:11 (23592): wrapper (7.9.26016): starting
16:21:11 (23592): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000017CA7BE6130, 8 bytes long.
 Data: <    |   > 00 00 14 A8 7C 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000017CA7BE6DE0, 1080 bytes long.
 Data: < `      D       > 08 60 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
16:35:03 (29724): wrapper (7.9.26016): starting
16:35:03 (29724): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x00000269CE167650, 8 bytes long.
 Data: <    i   > 00 00 0C CE 69 02 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000269CE1687B0, 1080 bytes long.
 Data: < .      D       > 98 2E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
16:39:01 (11432): wrapper (7.9.26016): starting
16:39:01 (11432): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x000001B1C9226540, 8 bytes long.
 Data: <  x     > 00 00 78 C9 B1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001B1C9226DE0, 1080 bytes long.
 Data: < G      L       > 04 47 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
16:54:49 (29728): wrapper (7.9.26016): starting
16:54:49 (29728): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000021973C76730, 8 bytes long.
 Data: <   s    > 00 00 C0 73 19 02 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000021973C76CB0, 1080 bytes long.
 Data: <\s      D       > 5C 73 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
17:01:38 (30148): wrapper (7.9.26016): starting
17:01:38 (30148): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000013F96106810, 8 bytes long.
 Data: <  N ?   > 00 00 4E 96 3F 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000013F96106DE0, 1080 bytes long.
 Data: <        L       > F0 1D 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
17:06:13 (2740): wrapper (7.9.26016): starting
17:06:13 (2740): 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\14\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1703} normal block at 0x0000018116BB5E60, 8 bytes long.
 Data: <        > 00 00 11 17 81 01 00 00 
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000018116BB6F70, 1080 bytes long.
 Data: < X      H       > F8 58 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
17:15:11 (21840): wrapper (7.9.26016): starting
17:15:11 (21840): 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\14\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
17:40:37 (21840): C:/Windows/system32/cmd.exe exited; CPU time 1463.000000
17:40:37 (21840): 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: 24836513 bytes.
Dumping objects ->
{1791} normal block at 0x000002B38E2153A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1780} normal block at 0x000002B38E215100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1769} normal block at 0x000002B38E2154F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1758} normal block at 0x000002B38E214E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1747} normal block at 0x000002B38E215020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1716} normal block at 0x000002B38E2002E0, 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) : {1703} normal block at 0x000002B38E2162C0, 8 bytes long.
 Data: <  Y     > 00 00 59 8E B3 02 00 00 
{311} normal block at 0x000002B38E215F50, 8 bytes long.
 Data: < m!     > E0 6D 21 8E B3 02 00 00 
{302} normal block at 0x000002B38E206200, 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 0x000002B38E216630, 16 bytes long.
 Data: < l!             > E8 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002B38E215AF0, 16 bytes long.
 Data: < l!             > C0 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002B38E20F780, 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 0x000002B38E2165E0, 16 bytes long.
 Data: < l!             > 98 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002B38E2164A0, 16 bytes long.
 Data: <pl!             > 70 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B38E215BE0, 16 bytes long.
 Data: <Hl!             > 48 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002B38E215F00, 16 bytes long.
 Data: < l!             > 20 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B38E214FB0, 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 0x000002B38E2164F0, 16 bytes long.
 Data: <                > D8 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002B38E20FD80, 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 0x000002B38E215A00, 16 bytes long.
 Data: <                > B0 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B38E216220, 16 bytes long.
 Data: <                > 88 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B38E215E60, 16 bytes long.
 Data: <`               > 60 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B38E216950, 16 bytes long.
 Data: <8               > 38 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B38E215B90, 16 bytes long.
 Data: <                > 10 F6 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B38E216900, 16 bytes long.
 Data: <                > E8 F5 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B38E20FA20, 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 0x000002B38E216450, 16 bytes long.
 Data: <                > C0 F5 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B38E1FF5C0, 320 bytes long.
 Data: <Pd!             > 50 64 21 8E B3 02 00 00 20 FA 20 8E B3 02 00 00 
{281} normal block at 0x000002B38E215CD0, 16 bytes long.
 Data: < l!             > 00 6C 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B38E216270, 16 bytes long.
 Data: < k!             > D8 6B 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B38E20F9C0, 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 0x000002B38E216310, 16 bytes long.
 Data: < k!             > B0 6B 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B38E20F840, 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 0x000002B38E2161D0, 16 bytes long.
 Data: < j!             > F8 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B38E2167C0, 16 bytes long.
 Data: < j!             > D0 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B38E215D70, 16 bytes long.
 Data: < j!             > A8 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B38E216680, 16 bytes long.
 Data: < j!             > 80 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B38E216540, 16 bytes long.
 Data: <Xj!             > 58 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B38E215B40, 16 bytes long.
 Data: <0j!             > 30 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B38E215C80, 16 bytes long.
 Data: <@O!             > 40 4F 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B38E214F40, 40 bytes long.
 Data: < \!             > 80 5C 21 8E B3 02 00 00 E0 02 20 8E B3 02 00 00 
{267} normal block at 0x000002B38E216180, 16 bytes long.
 Data: < j!             > 10 6A 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B38E216090, 16 bytes long.
 Data: < i!             > E8 69 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B38E20F360, 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 0x000002B38E215AA0, 16 bytes long.
 Data: < i!             > C0 69 21 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B38E2169C0, 992 bytes long.
 Data: < Z!     `       > A0 5A 21 8E B3 02 00 00 60 F3 20 8E B3 02 00 00 
{99} normal block at 0x000002B38E20F420, 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 0x000002B38E20E110, 16 bytes long.
 Data: <                > 10 E8 1F 8E B3 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002B38E1FE810, 40 bytes long.
 Data: <                > 10 E1 20 8E B3 02 00 00 20 F4 20 8E B3 02 00 00 
{76} normal block at 0x000002B38E20DA80, 16 bytes long.
 Data: <                > 80 EA EE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002B38E20D8F0, 16 bytes long.
 Data: <@               > 40 E9 EE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002B38E20E480, 16 bytes long.
 Data: < W              > F8 57 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002B38E20DE90, 16 bytes long.
 Data: < W              > D8 57 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002B38E20DB20, 16 bytes long.
 Data: <P               > 50 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002B38E20E3E0, 16 bytes long.
 Data: <0               > 30 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002B38E20DE40, 16 bytes long.
 Data: <                > E0 02 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B38E20DEE0, 16 bytes long.
 Data: <                > 10 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B38E20E340, 16 bytes long.
 Data: <p               > 70 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B38E20DDF0, 16 bytes long.
 Data: <                > 18 C0 E9 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>