Task 38581571
| Name | HIF2A_A41_A19_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND0739_0 |
| Workunit | 31546090 |
| Created | 12 Dec 2025, 10:52:39 UTC |
| Sent | 12 Dec 2025, 10:54:52 UTC |
| Report deadline | 17 Dec 2025, 10:54:52 UTC |
| Received | 13 Dec 2025, 12:38:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 3 hours 20 min 37 sec |
| CPU time | 3 hours 20 min 37 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,494.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 460.73 MB |
| Peak swap size | 12.51 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
03:05:54 (16340): wrapper (7.9.26016): starting
03:05:54 (16340): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A19_0.pdb
QB_A41_A19_0.xml
QB_A41_A19_equil.pdb
QB_A41_A19.inpcrd
QB_A41_A19_input.yaml
QB_A41_A19_mdlambda.pdb
QB_A41_A19_min.pdb
QB_A41_A19_npt.pdb
QB_A41_A19.pdb
QB_A41_A19.prmtop
QB_A41_A19_sys.xml
QB_A41_A19_therm.pdb
run.bat
run.sh
03:05:55 (16340): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:55 (16340): 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\35\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\35\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) : {3835219} normal block at 0x00000224E8A08090, 8 bytes long.
Data: < $ > 00 00 96 E8 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x00000224EA67C580, 1080 bytes long.
Data: < - ` > 0C 2D 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000224E8A12B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:57:16 (4272): wrapper (7.9.26016): starting
04:57:16 (4272): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849902} normal block at 0x0000027E43EC6B20, 8 bytes long.
Data: < E~ > 00 00 9E 45 7E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000027E45CA78C0, 1080 bytes long.
Data: < = > D8 3D 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027E43ED13D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:40:51 (12072): wrapper (7.9.26016): starting
05:40:51 (12072): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849902} normal block at 0x000001B7BADA64E0, 8 bytes long.
Data: < > 00 00 8B BC B7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001B7BCAE78C0, 1080 bytes long.
Data: <l > 6C 10 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B7BADB13D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:55:00 (9000): wrapper (7.9.26016): starting
05:55:00 (9000): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849902} normal block at 0x000001C4B8447160, 8 bytes long.
Data: < > 00 00 E8 B9 C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001C4BA138220, 1080 bytes long.
Data: < > A0 1E 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001C4B84513D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:15:37 (15592): wrapper (7.9.26016): starting
06:15:37 (15592): 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\35\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849902} normal block at 0x000001F85D828A40, 8 bytes long.
Data: < {] > 00 00 7B 5D F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001F85D90E6D0, 1080 bytes long.
Data: <P X > 50 1B 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F85D833D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:24:06 (11456): wrapper (7.9.26016): starting
07:24:06 (11456): 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\35\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
07:37:23 (11456): C:/Windows/system32/cmd.exe exited; CPU time 754.984375
07:37:23 (11456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 12694772 bytes.
Dumping objects ->
{3849991} normal block at 0x0000019EFF181170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849980} normal block at 0x0000019EFF180A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849969} normal block at 0x0000019EFF1815D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849958} normal block at 0x0000019EFF181410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849947} normal block at 0x0000019EFF1813A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849916} normal block at 0x0000019EFF2741B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849905} normal block at 0x0000019EFF28D130, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3849902} normal block at 0x0000019EFEA98140, 8 bytes long.
Data: < §þž > 00 00 A7 FE 9E 01 00 00
{3849252} normal block at 0x0000019EFF28BE70, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848636} normal block at 0x0000019EFEA980F0, 8 bytes long.
Data: <°B0ÿž > B0 42 30 FF 9E 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019EFEAA3210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019EFEA8B5E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000019EFEAA4A70, 16 bytes long.
Data: <¸Tªþž > B8 54 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019EFEAA4980, 16 bytes long.
Data: < Tªþž > 90 54 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019EFEA9E1A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000019EFEAA4340, 16 bytes long.
Data: <hTªþž > 68 54 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019EFEAA42F0, 16 bytes long.
Data: <@Tªþž > 40 54 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019EFEAA4C50, 16 bytes long.
Data: < Tªþž > 18 54 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019EFEAA4ED0, 16 bytes long.
Data: <ðSªþž > F0 53 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019EFEA9D4C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000019EFEAA48E0, 16 bytes long.
Data: <x\¨þž > 78 5C A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019EFEA9E740, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000019EFEAA4B60, 16 bytes long.
Data: <P\¨þž > 50 5C A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019EFEAA42A0, 16 bytes long.
Data: <(\¨þž > 28 5C A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019EFEAA4930, 16 bytes long.
Data: < \¨þž > 00 5C A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019EFEAA4A20, 16 bytes long.
Data: <Ø[¨þž > D8 5B A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019EFEAA4C00, 16 bytes long.
Data: <°[¨þž > B0 5B A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019EFEAA4250, 16 bytes long.
Data: < [¨þž > 88 5B A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019EFEA9E320, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000019EFEAA4110, 16 bytes long.
Data: <`[¨þž > 60 5B A8 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019EFEA85B60, 320 bytes long.
Data: < Aªþž ã©þž > 10 41 AA FE 9E 01 00 00 20 E3 A9 FE 9E 01 00 00
{272} normal block at 0x0000019EFEAA4D40, 16 bytes long.
Data: <ÐSªþž > D0 53 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019EFEAA4890, 16 bytes long.
Data: <¨Sªþž > A8 53 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019EFEA9E6E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000019EFEAA4840, 16 bytes long.
Data: < Sªþž > 80 53 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019EFEA9E680, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000019EFEAA41B0, 16 bytes long.
Data: <ÈRªþž > C8 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019EFEAA4BB0, 16 bytes long.
Data: < Rªþž > A0 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019EFEAA4DE0, 16 bytes long.
Data: <xRªþž > 78 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019EFEAA4430, 16 bytes long.
Data: <PRªþž > 50 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019EFEAA4D90, 16 bytes long.
Data: <(Rªþž > 28 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019EFEAA4200, 16 bytes long.
Data: < Rªþž > 00 52 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019EFEAA4160, 16 bytes long.
Data: < Ú©þž > 00 DA A9 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019EFEA9DA00, 40 bytes long.
Data: <`Aªþž °A'ÿž > 60 41 AA FE 9E 01 00 00 B0 41 27 FF 9E 01 00 00
{258} normal block at 0x0000019EFEAA44D0, 16 bytes long.
Data: <àQªþž > E0 51 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019EFEAA47F0, 16 bytes long.
Data: <¸Qªþž > B8 51 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019EFEA9DC60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000019EFEAA47A0, 16 bytes long.
Data: < Qªþž > 90 51 AA FE 9E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019EFEAA5190, 992 bytes long.
Data: < Gªþž `Ü©þž > A0 47 AA FE 9E 01 00 00 60 DC A9 FE 9E 01 00 00
{90} normal block at 0x0000019EFEA9E380, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000019EFEA980A0, 16 bytes long.
Data: <Ðשþž > D0 D7 A9 FE 9E 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019EFEA9D7D0, 40 bytes long.
Data: <  ©þž ã©þž > A0 80 A9 FE 9E 01 00 00 80 E3 A9 FE 9E 01 00 00
{67} normal block at 0x0000019EFEA976A0, 16 bytes long.
Data: < ê xö > 80 EA 01 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019EFEA98050, 16 bytes long.
Data: <@é xö > 40 E9 01 78 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019EFEA97470, 16 bytes long.
Data: <øWþwö > F8 57 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019EFEA97FB0, 16 bytes long.
Data: <ØWþwö > D8 57 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019EFEA97D80, 16 bytes long.
Data: <P þwö > 50 04 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019EFEA97650, 16 bytes long.
Data: <0 þwö > 30 04 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019EFEA97B50, 16 bytes long.
Data: <à þwö > E0 02 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019EFEA97D30, 16 bytes long.
Data: < þwö > 10 04 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019EFEA973D0, 16 bytes long.
Data: <p þwö > 70 04 FE 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019EFEA97420, 16 bytes long.
Data: < Àüwö > 18 C0 FC 77 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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