| Name | test_380-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5402_0 |
| Workunit | 31638445 |
| Created | 1 Nov 2026, 23:43:12 UTC |
| Sent | 1 Nov 2026, 23:43:13 UTC |
| Report deadline | 6 Nov 2026, 23:43:13 UTC |
| Received | 3 Nov 2026, 0:37:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648597 |
| Run time | 1 hours 5 min 3 sec |
| CPU time | 1 hours 2 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 18,251.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.95 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.32 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:47:47 (18980): wrapper (7.9.26016): starting
16:47:47 (18980): 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
16:47:48 (18980): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:48 (18980): 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) : {3835383} normal block at 0x000002237487E7A0, 8 bytes long.
Data: < t# > 00 00 CF 74 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000022376579110, 1080 bytes long.
Data: < , > 1C 14 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000223748770D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:34:35 (5628): wrapper (7.9.26016): starting
17:34:35 (5628): 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) : {1725} normal block at 0x0000027C6EFB3CE0, 8 bytes long.
Data: < n| > 00 00 F8 6E 7C 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000027C6EFB2F50, 1080 bytes long.
Data: < 0 D > C4 30 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
17:51:49 (6932): wrapper (7.9.26016): starting
17:51:49 (6932): 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\16\tmp already exists.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\16\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\16\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) : {1725} normal block at 0x00000268DFF242D0, 8 bytes long.
Data: < Q h > 00 00 51 E0 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000268DFF22F50, 1080 bytes long.
Data: < D > D8 08 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
18:19:13 (9072): wrapper (7.9.26016): starting
18:19:13 (9072): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x000001A142614460, 8 bytes long.
Data: < B > 00 00 93 42 A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001A142612F50, 1080 bytes long.
Data: < - P > F0 2D 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
18:42:23 (14276): wrapper (7.9.26016): starting
18:42:23 (14276): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000019F619D39A0, 8 bytes long.
Data: < a > 00 00 DB 61 9F 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000019F619D2F80, 1080 bytes long.
Data: < S D > CC 53 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
19:05:14 (9948): wrapper (7.9.26016): starting
19:05:14 (9948): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000022095983B50, 8 bytes long.
Data: < > 00 00 93 95 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000022095982F50, 1080 bytes long.
Data: < + D > E4 2B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
21:12:58 (3476): wrapper (7.9.26016): starting
21:12:58 (3476): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000017AB7EE3D00, 8 bytes long.
Data: < z > 00 00 EB B7 7A 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000017AB7EE2D40, 1080 bytes long.
Data: < F P > D0 46 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:43:16 (21084): wrapper (7.9.26016): starting
08:43:16 (21084): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000024DB1CD4410, 8 bytes long.
Data: < M > 00 00 FE B1 4D 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000024DB1CD2F50, 1080 bytes long.
Data: <tO H > 74 4F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:07:55 (13828): wrapper (7.9.26016): starting
13:07:55 (13828): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000012353A85E70, 8 bytes long.
Data: < S# > 00 00 E0 53 23 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000012353A84FF0, 1080 bytes long.
Data: < 8 H > A0 38 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:21:10 (18156): wrapper (7.9.26016): starting
13:21:10 (18156): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x00000226274A6FD0, 8 bytes long.
Data: < '& > 00 00 86 27 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000226274A5FB0, 1080 bytes long.
Data: < N P > CC 4E 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
16:45:59 (11644): wrapper (7.9.26016): starting
16:45:59 (11644): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x0000025417BA3C70, 8 bytes long.
Data: < T > 00 00 04 18 54 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000025417BA2F80, 1080 bytes long.
Data: < @ > A0 05 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
16:57:01 (17176): wrapper (7.9.26016): starting
16:57:01 (17176): 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\16\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1725} normal block at 0x00000295C82E59E0, 8 bytes long.
Data: < f > 00 00 66 C8 95 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000295C82E4280, 1080 bytes long.
Data: < Z H > BC 5A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
17:32:22 (2412): wrapper (7.9.26016): starting
17:32:22 (2412): 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\16\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
17:35:50 (2412): C:/Windows/system32/cmd.exe exited; CPU time 157.203125
17:35:50 (2412): 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: 3299131 bytes.
Dumping objects ->
{1813} normal block at 0x000002C95A141DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x000002C95A142210, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x000002C95A141D40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x000002C95A141BF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x000002C95A141CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x000002C95A130010, 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) : {1725} normal block at 0x000002C95A143BF0, 8 bytes long.
Data: < [ > 00 00 C2 5B C9 02 00 00
{309} normal block at 0x000002C95A144410, 8 bytes long.
Data: < / Z > A0 2F 14 5A C9 02 00 00
{300} normal block at 0x000002C95A137550, 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 0x000002C95A143920, 16 bytes long.
Data: < L Z > E8 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002C95A1441E0, 16 bytes long.
Data: < L Z > C0 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002C95A13E620, 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 0x000002C95A1440F0, 16 bytes long.
Data: < L Z > 98 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002C95A144370, 16 bytes long.
Data: <pL Z > 70 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C95A1443C0, 16 bytes long.
Data: <HL Z > 48 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002C95A143C90, 16 bytes long.
Data: < L Z > 20 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C95A141B80, 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 0x000002C95A143830, 16 bytes long.
Data: < Z > A8 CB 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C95A13EC20, 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 0x000002C95A144190, 16 bytes long.
Data: < Z > 80 CB 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C95A1440A0, 16 bytes long.
Data: <X Z > 58 CB 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C95A144280, 16 bytes long.
Data: <0 Z > 30 CB 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C95A144050, 16 bytes long.
Data: < Z > 08 CB 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C95A144460, 16 bytes long.
Data: < Z > E0 CA 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C95A1444B0, 16 bytes long.
Data: < Z > B8 CA 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C95A13E680, 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 0x000002C95A144000, 16 bytes long.
Data: < Z > 90 CA 12 5A C9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C95A12CA90, 320 bytes long.
Data: < @ Z Z > 00 40 14 5A C9 02 00 00 80 E6 13 5A C9 02 00 00
{279} normal block at 0x000002C95A1442D0, 16 bytes long.
Data: < L Z > 00 4C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C95A143FB0, 16 bytes long.
Data: < K Z > D8 4B 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C95A13E440, 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 0x000002C95A144230, 16 bytes long.
Data: < K Z > B0 4B 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C95A13EA40, 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 0x000002C95A143E70, 16 bytes long.
Data: < J Z > F8 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C95A144320, 16 bytes long.
Data: < J Z > D0 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C95A143E20, 16 bytes long.
Data: < J Z > A8 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C95A143EC0, 16 bytes long.
Data: < J Z > 80 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C95A143970, 16 bytes long.
Data: <XJ Z > 58 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C95A143B00, 16 bytes long.
Data: <0J Z > 30 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C95A143F10, 16 bytes long.
Data: <` Z > 60 1C 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C95A141C60, 40 bytes long.
Data: < ? Z Z > 10 3F 14 5A C9 02 00 00 10 00 13 5A C9 02 00 00
{265} normal block at 0x000002C95A143880, 16 bytes long.
Data: < J Z > 10 4A 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C95A143DD0, 16 bytes long.
Data: < I Z > E8 49 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C95A13E5C0, 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 0x000002C95A143D80, 16 bytes long.
Data: < I Z > C0 49 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C95A1449C0, 992 bytes long.
Data: < = Z Z > 80 3D 14 5A C9 02 00 00 C0 E5 13 5A C9 02 00 00
{97} normal block at 0x000002C95A13E3E0, 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 0x000002C95A13CC60, 16 bytes long.
Data: < " Z > 80 22 14 5A C9 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002C95A142280, 40 bytes long.
Data: <` Z Z > 60 CC 13 5A C9 02 00 00 E0 E3 13 5A C9 02 00 00
{74} normal block at 0x000002C95A13CF80, 16 bytes long.
Data: < 7 > 80 EA F3 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002C95A13C8A0, 16 bytes long.
Data: <@ 7 > 40 E9 F3 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002C95A13CE40, 16 bytes long.
Data: < W 7 > F8 57 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002C95A13C7B0, 16 bytes long.
Data: < W 7 > D8 57 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002C95A13C850, 16 bytes long.
Data: <P 7 > 50 04 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002C95A13CC10, 16 bytes long.
Data: <0 7 > 30 04 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002C95A13D4D0, 16 bytes long.
Data: < 7 > E0 02 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002C95A13D430, 16 bytes long.
Data: < 7 > 10 04 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002C95A13D5C0, 16 bytes long.
Data: <p 7 > 70 04 F0 37 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002C95A13CAD0, 16 bytes long.
Data: < 7 > 18 C0 EE 37 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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