| Name | test_628-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5475_1 |
| Workunit | 31618605 |
| Created | 26 Oct 2026, 12:14:14 UTC |
| Sent | 26 Oct 2026, 12:14:16 UTC |
| Report deadline | 31 Oct 2026, 12:14:16 UTC |
| Received | 26 Oct 2026, 16:20:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625441 |
| Run time | 39 min 35 sec |
| CPU time | 37 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.14 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:39:53 (10280): wrapper (7.9.26016): starting
07:39:53 (10280): 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
07:39:55 (10280): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:39:55 (10280): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835161} normal block at 0x000001B8B014FB90, 8 bytes long.
Data: < ^ > 00 00 5E B0 B8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001B8B022E990, 1080 bytes long.
Data: < Y P > 00 59 00 00 CD CD CD CD 50 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B8B014D9E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:46:04 (27204): wrapper (7.9.26016): starting
07:46:04 (27204): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x0000026E69026000, 8 bytes long.
Data: < <in > 00 00 3C 69 6E 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000026E69026B10, 1080 bytes long.
Data: <DD P > 44 44 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:17:46 (16820): wrapper (7.9.26016): starting
08:17:46 (16820): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000171BFAE62B0, 8 bytes long.
Data: < q > 00 00 AA BF 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000171BFAE6730, 1080 bytes long.
Data: < < H > 0C 3C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:27:43 (27560): wrapper (7.9.26016): starting
08:27:43 (27560): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000275760D6660, 8 bytes long.
Data: < `vu > 00 00 60 76 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000275760D6AE0, 1080 bytes long.
Data: < . d > D8 2E 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
08:32:47 (18452): wrapper (7.9.26016): starting
08:32:47 (18452): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001DDA5846820, 8 bytes long.
Data: < > 00 00 D0 A5 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001DDA5846B10, 1080 bytes long.
Data: <<V P > 3C 56 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:45:50 (21800): wrapper (7.9.26016): starting
08:45:50 (21800): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000215A3D66050, 8 bytes long.
Data: < + > 00 00 2B A4 15 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000215A3D66B10, 1080 bytes long.
Data: < V P > C8 56 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
08:52:56 (13780): wrapper (7.9.26016): starting
08:52:56 (13780): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x00000285F0456410, 8 bytes long.
Data: < > 00 00 91 F0 85 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000285F0456BB0, 1080 bytes long.
Data: < g P > A8 67 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:02:34 (15904): wrapper (7.9.26016): starting
09:02:34 (15904): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x0000022ACECC6460, 8 bytes long.
Data: < * > 00 00 16 CF 2A 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000022ACECC6BB0, 1080 bytes long.
Data: < M H > CC 4D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
09:10:11 (2740): wrapper (7.9.26016): starting
09:10:11 (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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001BFB15E5C40, 8 bytes long.
Data: < > 00 00 95 B1 BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001BFB15E6A70, 1080 bytes long.
Data: <X8 d > 58 38 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
09:18:28 (23208): wrapper (7.9.26016): starting
09:18:28 (23208): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001F20FB86A50, 8 bytes long.
Data: < > 00 00 B1 0F F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F20FB86BB0, 1080 bytes long.
Data: <hI P > 68 49 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
09:41:03 (12508): wrapper (7.9.26016): starting
09:41:03 (12508): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001D89D1D6220, 8 bytes long.
Data: < > 00 00 16 9D D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001D89D1D6830, 1080 bytes long.
Data: < : L > E8 3A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
10:08:31 (20340): wrapper (7.9.26016): starting
10:08:31 (20340): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001B2600D64B0, 8 bytes long.
Data: < X` > 00 00 58 60 B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001B2600D6B10, 1080 bytes long.
Data: < d H > 08 64 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:12:16 (24488): wrapper (7.9.26016): starting
11:12:16 (24488): 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\0\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
11:20:00 (24488): C:/Windows/system32/cmd.exe exited; CPU time 422.312500
11:20:00 (24488): 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: 8613804 bytes.
Dumping objects ->
{1596} normal block at 0x0000022D45B15040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1585} normal block at 0x0000022D45B14FD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1574} normal block at 0x0000022D45B14F60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1563} normal block at 0x0000022D45B14EF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1552} normal block at 0x0000022D45B14E80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1521} normal block at 0x0000022D45AFFD60, 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) : {1508} normal block at 0x0000022D45B16000, 8 bytes long.
Data: < E- > 00 00 AB 45 2D 02 00 00
{304} normal block at 0x0000022D45B15DD0, 8 bytes long.
Data: <`k E- > 60 6B B1 45 2D 02 00 00
{295} normal block at 0x0000022D45B068A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000022D45B16460, 16 bytes long.
Data: <XZ E- > 58 5A B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022D45B15C90, 16 bytes long.
Data: <0Z E- > 30 5A B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022D45B0ECC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000022D45B165F0, 16 bytes long.
Data: < Z E- > 08 5A B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022D45B15D80, 16 bytes long.
Data: < Y E- > E0 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022D45B15E20, 16 bytes long.
Data: < Y E- > B8 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022D45B162D0, 16 bytes long.
Data: < Y E- > 90 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022D45B14E10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000022D45B15F10, 16 bytes long.
Data: < E- > 98 B7 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022D45B0FA40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000022D45B16640, 16 bytes long.
Data: <p E- > 70 B7 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022D45B15D30, 16 bytes long.
Data: <H E- > 48 B7 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022D45B15CE0, 16 bytes long.
Data: < E- > 20 B7 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022D45B15EC0, 16 bytes long.
Data: < E- > F8 B6 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022D45B16320, 16 bytes long.
Data: < E- > D0 B6 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022D45B15F60, 16 bytes long.
Data: < E- > A8 B6 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022D45B0ED80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000022D45B165A0, 16 bytes long.
Data: < E- > 80 B6 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022D45AFB680, 320 bytes long.
Data: < e E- E- > A0 65 B1 45 2D 02 00 00 80 ED B0 45 2D 02 00 00
{274} normal block at 0x0000022D45B16960, 16 bytes long.
Data: <pY E- > 70 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022D45B16730, 16 bytes long.
Data: <HY E- > 48 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022D45B0F4A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000022D45B16140, 16 bytes long.
Data: < Y E- > 20 59 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022D45B0EF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000022D45B16A00, 16 bytes long.
Data: <hX E- > 68 58 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022D45B16870, 16 bytes long.
Data: <@X E- > 40 58 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022D45B15FB0, 16 bytes long.
Data: < X E- > 18 58 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022D45B166E0, 16 bytes long.
Data: < W E- > F0 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022D45B0FDA0, 16 bytes long.
Data: < W E- > C8 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022D45B10A70, 16 bytes long.
Data: < W E- > A0 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022D45B10250, 16 bytes long.
Data: < Q E- > 90 51 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022D45B15190, 40 bytes long.
Data: <P E- ` E- > 50 02 B1 45 2D 02 00 00 60 FD AF 45 2D 02 00 00
{260} normal block at 0x0000022D45B10930, 16 bytes long.
Data: < W E- > 80 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022D45B0FD50, 16 bytes long.
Data: <XW E- > 58 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022D45B0F260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000022D45B10A20, 16 bytes long.
Data: <0W E- > 30 57 B1 45 2D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022D45B15730, 992 bytes long.
Data: < E- ` E- > 20 0A B1 45 2D 02 00 00 60 F2 B0 45 2D 02 00 00
{92} normal block at 0x0000022D45B0F440, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000022D45B109D0, 16 bytes long.
Data: < E- > 80 E7 AF 45 2D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000022D45AFE780, 40 bytes long.
Data: < E- @ E- > D0 09 B1 45 2D 02 00 00 40 F4 B0 45 2D 02 00 00
{69} normal block at 0x0000022D45B10570, 16 bytes long.
Data: < > 80 EA CF ED F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022D45B10520, 16 bytes long.
Data: <@ > 40 E9 CF ED F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022D45B10340, 16 bytes long.
Data: < W > F8 57 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022D45B10160, 16 bytes long.
Data: < W > D8 57 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022D45B100C0, 16 bytes long.
Data: <P > 50 04 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022D45B0FE90, 16 bytes long.
Data: <0 > 30 04 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022D45B10B10, 16 bytes long.
Data: < > E0 02 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022D45B102F0, 16 bytes long.
Data: < > 10 04 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022D45B10660, 16 bytes long.
Data: <p > 70 04 CC ED F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022D45B101B0, 16 bytes long.
Data: < > 18 C0 CA ED F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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