| Name | PFKFB3_A07_A32_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND8770_0 |
| Workunit | 31547631 |
| Created | 14 Dec 2025, 7:40:14 UTC |
| Sent | 14 Dec 2025, 7:40:20 UTC |
| Report deadline | 19 Dec 2025, 7:40:20 UTC |
| Received | 17 Dec 2025, 16:14:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 597727 |
| Run time | 17 hours 38 min |
| CPU time | 16 hours 49 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,610.96 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 779.51 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 3.70 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:43:28 (27904): wrapper (7.9.26016): starting
02:43:28 (27904): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A32_0.pdb
QB_A07_A32_0.xml
QB_A07_A32_equil.pdb
QB_A07_A32.inpcrd
QB_A07_A32_input.yaml
QB_A07_A32_mdlambda.pdb
QB_A07_A32_min.pdb
QB_A07_A32_npt.pdb
QB_A07_A32.pdb
QB_A07_A32.prmtop
QB_A07_A32_sys.xml
QB_A07_A32_therm.pdb
run.bat
run.sh
02:43:37 (27904): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:43:37 (27904): 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) : {3835447} normal block at 0x00000200A7F6D540, 8 bytes long.
Data: < ; > 00 00 3B A8 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x00000200A7F5D6C0, 1080 bytes long.
Data: <\ > 5C 8F 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000200A7F60BC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:34:18 (38328): wrapper (7.9.26016): starting
20:34:18 (38328): 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) : {1791} normal block at 0x00000177713461D0, 8 bytes long.
Data: < qw > 00 00 8F 71 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000017771346840, 1080 bytes long.
Data: <4 > 34 C5 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
22:14:01 (28316): wrapper (7.9.26016): starting
22:14:01 (28316): 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) : {1793} normal block at 0x0000024C7A166140, 8 bytes long.
Data: < LzL > 00 00 4C 7A 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000024C7A1668A0, 1080 bytes long.
Data: <d' > 64 27 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
00:09:04 (29788): wrapper (7.9.26016): starting
00:09:04 (29788): 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) : {1793} normal block at 0x0000026DB4BD74A0, 8 bytes long.
Data: < m > 00 00 06 B5 6D 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000026DB4BD84C0, 1080 bytes long.
Data: <X > 58 15 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
02:14:29 (13176): wrapper (7.9.26016): starting
02:14:29 (13176): 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) : {1793} normal block at 0x000001DB20FA5690, 8 bytes long.
Data: < > 00 00 F3 20 DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001DB20FA6570, 1080 bytes long.
Data: <\ > 5C 0D 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
04:21:24 (7160): wrapper (7.9.26016): starting
04:21:24 (7160): 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: Exiting with failure status due to previous errors
04:23:38 (7160): C:/Windows/system32/cmd.exe exited; CPU time 56.468750
04:23:38 (7160): 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: 1924014 bytes.
Dumping objects ->
{1881} normal block at 0x000001FE0AC44810, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1870} normal block at 0x000001FE0AC447A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1859} normal block at 0x000001FE0AC44A40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1848} normal block at 0x000001FE0AC44EA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1837} normal block at 0x000001FE0AC44DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1806} normal block at 0x000001FE0AC2D340, 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) : {1793} normal block at 0x000001FE0AC45C70, 8 bytes long.
Data: < > 00 00 0A 0B FE 01 00 00
{309} normal block at 0x000001FE0AC461C0, 8 bytes long.
Data: <@i > 40 69 C4 0A FE 01 00 00
{300} normal block at 0x000001FE0AC31910, 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 0x000001FE0AC453B0, 16 bytes long.
Data: <Hh > 48 68 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FE0AC45BD0, 16 bytes long.
Data: < h > 20 68 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FE0AC3F480, 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 0x000001FE0AC45F90, 16 bytes long.
Data: < g > F8 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE0AC46260, 16 bytes long.
Data: < g > D0 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FE0AC45A40, 16 bytes long.
Data: < g > A8 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FE0AC45D10, 16 bytes long.
Data: < g > 80 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE0AC44C70, 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 0x000001FE0AC454A0, 16 bytes long.
Data: < > E8 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE0AC3FB40, 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 0x000001FE0AC45F40, 16 bytes long.
Data: < > C0 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE0AC46030, 16 bytes long.
Data: < > 98 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FE0AC454F0, 16 bytes long.
Data: <p > 70 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FE0AC45E00, 16 bytes long.
Data: <H > 48 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FE0AC458B0, 16 bytes long.
Data: < > 20 F2 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FE0AC459F0, 16 bytes long.
Data: < > F8 F1 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE0AC3F900, 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 0x000001FE0AC45AE0, 16 bytes long.
Data: < > D0 F1 C2 0A FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE0AC2F1D0, 320 bytes long.
Data: < Z > E0 5A C4 0A FE 01 00 00 00 F9 C3 0A FE 01 00 00
{279} normal block at 0x000001FE0AC45EF0, 16 bytes long.
Data: <`g > 60 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FE0AC45860, 16 bytes long.
Data: <8g > 38 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE0AC3FCC0, 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 0x000001FE0AC460D0, 16 bytes long.
Data: < g > 10 67 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE0AC40020, 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 0x000001FE0AC462B0, 16 bytes long.
Data: <Xf > 58 66 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FE0AC45C20, 16 bytes long.
Data: <0f > 30 66 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE0AC457C0, 16 bytes long.
Data: < f > 08 66 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FE0AC45950, 16 bytes long.
Data: < e > E0 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE0AC45EA0, 16 bytes long.
Data: < e > B8 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FE0AC45720, 16 bytes long.
Data: < e > 90 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE0AC45810, 16 bytes long.
Data: <PM > 50 4D C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE0AC44D50, 40 bytes long.
Data: < X @ > 10 58 C4 0A FE 01 00 00 40 D3 C2 0A FE 01 00 00
{265} normal block at 0x000001FE0AC45CC0, 16 bytes long.
Data: <pe > 70 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE0AC45DB0, 16 bytes long.
Data: <He > 48 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FE0AC3F600, 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 0x000001FE0AC45900, 16 bytes long.
Data: < e > 20 65 C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE0AC46520, 992 bytes long.
Data: < Y > 00 59 C4 0A FE 01 00 00 00 F6 C3 0A FE 01 00 00
{97} normal block at 0x000001FE0AC3F420, 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 0x000001FE0AC3DE40, 16 bytes long.
Data: < K > 20 4B C4 0A FE 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FE0AC44B20, 40 bytes long.
Data: <@ > 40 DE C3 0A FE 01 00 00 20 F4 C3 0A FE 01 00 00
{74} normal block at 0x000001FE0AC3D580, 16 bytes long.
Data: < f5 > 80 EA 66 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FE0AC3D8A0, 16 bytes long.
Data: <@ f5 > 40 E9 66 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FE0AC3D350, 16 bytes long.
Data: < Wc5 > F8 57 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FE0AC3DD50, 16 bytes long.
Data: < Wc5 > D8 57 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FE0AC3DDF0, 16 bytes long.
Data: <P c5 > 50 04 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FE0AC3D620, 16 bytes long.
Data: <0 c5 > 30 04 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FE0AC3DB70, 16 bytes long.
Data: < c5 > E0 02 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FE0AC3D800, 16 bytes long.
Data: < c5 > 10 04 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FE0AC3E020, 16 bytes long.
Data: <p c5 > 70 04 63 35 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FE0AC3DCB0, 16 bytes long.
Data: < a5 > 18 C0 61 35 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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