Task 38581324
| Name | HIF2A_A07_A04_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND9220_0 |
| Workunit | 31545849 |
| Created | 12 Dec 2025, 10:44:33 UTC |
| Sent | 12 Dec 2025, 10:44:48 UTC |
| Report deadline | 17 Dec 2025, 10:44:48 UTC |
| Received | 12 Dec 2025, 19:45:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618813 |
| Run time | 3 hours 20 min 8 sec |
| CPU time | 3 hours 19 min 23 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 86,024.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 477.37 MB |
| Peak swap size | 12.79 GB |
| Peak disk usage | 4.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:30:12 (82864): wrapper (7.9.26016): starting
10:30:12 (82864): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A04_0.pdb
QB_A07_A04_0.xml
QB_A07_A04_equil.pdb
QB_A07_A04.inpcrd
QB_A07_A04_input.yaml
QB_A07_A04_mdlambda.pdb
QB_A07_A04_min.pdb
QB_A07_A04_npt.pdb
QB_A07_A04.pdb
QB_A07_A04.prmtop
QB_A07_A04_sys.xml
QB_A07_A04_therm.pdb
run.bat
run.sh
10:30:13 (82864): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:30:13 (82864): 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) : {3835337} normal block at 0x000001D03D33CE00, 8 bytes long.
Data: < += > 00 00 2B 3D D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834034} normal block at 0x000001D03D41EB00, 1080 bytes long.
Data: < > x > 14 3E 01 00 CD CD CD CD 78 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x000001D03D32DC20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:45:19 (84304): wrapper (7.9.26016): starting
10:45:19 (84304): 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) : {1645} normal block at 0x000001EEA614BD40, 8 bytes long.
Data: < > 00 00 0F A6 EE 01 00 00
..\lib\diagnostics_win.cpp(417) : {342} normal block at 0x000001EEA6147AA0, 1080 bytes long.
Data: < > E4 17 01 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
11:42:17 (71652): wrapper (7.9.26016): starting
11:42:17 (71652): 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) : {1645} normal block at 0x000001B961E6B9D0, 8 bytes long.
Data: < c > 00 00 99 63 B9 01 00 00
..\lib\diagnostics_win.cpp(417) : {342} normal block at 0x000001B961E67AA0, 1080 bytes long.
Data: < > B0 92 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
12:02:36 (80716): wrapper (7.9.26016): starting
12:02:36 (80716): 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) : {1645} normal block at 0x000001B08062A340, 8 bytes long.
Data: < Z > 00 00 5A 80 B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {342} normal block at 0x000001B08062B220, 1080 bytes long.
Data: <pA > 70 41 01 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
14:35:37 (61056): wrapper (7.9.26016): starting
14:35:37 (61056): 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
14:44:49 (61056): C:/Windows/system32/cmd.exe exited; CPU time 529.968750
14:44:49 (61056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 11896 bytes.
Total allocations: 20244250 bytes.
Dumping objects ->
{1734} normal block at 0x000001D1FF8AD640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1723} normal block at 0x000001D1FF8A8A20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1712} normal block at 0x000001D1FF8A89B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1701} normal block at 0x000001D1FF8A88D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1690} normal block at 0x000001D1FF8A87F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1659} normal block at 0x000001D1FF88F640, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1648} normal block at 0x000001D1FF88EA30, 140 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) : {1645} normal block at 0x000001D1FF8ABE30, 8 bytes long.
Data: < N > 00 00 4E 81 D1 01 00 00
{991} normal block at 0x000001D1FF8AA780, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{343} normal block at 0x000001D1FF8ABBB0, 8 bytes long.
Data: < z > A0 7A 8A FF D1 01 00 00
{334} normal block at 0x000001D1FF894740, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{333} normal block at 0x000001D1FF8AB2F0, 16 bytes long.
Data: < t > E8 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{332} normal block at 0x000001D1FF8ABC50, 16 bytes long.
Data: < t > C0 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{331} normal block at 0x000001D1FF8A9460, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{330} normal block at 0x000001D1FF8AB570, 16 bytes long.
Data: < t > 98 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{329} normal block at 0x000001D1FF8AB2A0, 16 bytes long.
Data: <pt > 70 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{328} normal block at 0x000001D1FF8ABB60, 16 bytes long.
Data: <Ht > 48 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{327} normal block at 0x000001D1FF8ABAC0, 16 bytes long.
Data: < t > 20 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{326} normal block at 0x000001D1FF8A8860, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{325} normal block at 0x000001D1FF8AB200, 16 bytes long.
Data: < > C8 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{324} normal block at 0x000001D1FF8A9A60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{323} normal block at 0x000001D1FF8ABED0, 16 bytes long.
Data: < > A0 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{321} normal block at 0x000001D1FF8AB930, 16 bytes long.
Data: <x > 78 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{320} normal block at 0x000001D1FF8AB1B0, 16 bytes long.
Data: <P > 50 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{319} normal block at 0x000001D1FF8AB430, 16 bytes long.
Data: <( > 28 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{318} normal block at 0x000001D1FF8AB8E0, 16 bytes long.
Data: < > 00 E9 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{317} normal block at 0x000001D1FF8AB4D0, 16 bytes long.
Data: < > D8 E8 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{316} normal block at 0x000001D1FF8A90A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{315} normal block at 0x000001D1FF8ABC00, 16 bytes long.
Data: < > B0 E8 88 FF D1 01 00 00 00 00 00 00 00 00 00 00
{314} normal block at 0x000001D1FF88E8B0, 320 bytes long.
Data: < > 00 BC 8A FF D1 01 00 00 A0 90 8A FF D1 01 00 00
{313} normal block at 0x000001D1FF8AB3E0, 16 bytes long.
Data: < t > 00 74 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x000001D1FF8AB840, 16 bytes long.
Data: < s > D8 73 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000001D1FF8A99A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{310} normal block at 0x000001D1FF8AB890, 16 bytes long.
Data: < s > B0 73 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001D1FF8A9640, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{308} normal block at 0x000001D1FF8ABA70, 16 bytes long.
Data: < r > F8 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001D1FF8AB250, 16 bytes long.
Data: < r > D0 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001D1FF8AB390, 16 bytes long.
Data: < r > A8 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001D1FF8ABDE0, 16 bytes long.
Data: < r > 80 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D1FF8AB110, 16 bytes long.
Data: <Xr > 58 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D1FF8AB480, 16 bytes long.
Data: <0r > 30 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D1FF8AB070, 16 bytes long.
Data: < > 10 87 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D1FF8A8710, 40 bytes long.
Data: <p @ > 70 B0 8A FF D1 01 00 00 40 F6 88 FF D1 01 00 00
{299} normal block at 0x000001D1FF8ABFC0, 16 bytes long.
Data: < r > 10 72 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D1FF8AB9D0, 16 bytes long.
Data: < q > E8 71 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D1FF8A9940, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{296} normal block at 0x000001D1FF8ABE80, 16 bytes long.
Data: < q > C0 71 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D1FF8A71C0, 992 bytes long.
Data: < @ > 80 BE 8A FF D1 01 00 00 40 99 8A FF D1 01 00 00
{131} normal block at 0x000001D1FF8A9340, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{130} normal block at 0x000001D1FF89CD60, 16 bytes long.
Data: <P > 50 85 8A FF D1 01 00 00 00 00 00 00 00 00 00 00
{129} normal block at 0x000001D1FF8A8550, 40 bytes long.
Data: <` @ > 60 CD 89 FF D1 01 00 00 40 93 8A FF D1 01 00 00
{108} normal block at 0x000001D1FF89D760, 16 bytes long.
Data: < W > 80 EA 57 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x000001D1FF89D170, 16 bytes long.
Data: <@ W > 40 E9 57 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001D1FF89CEF0, 16 bytes long.
Data: < WT > F8 57 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000001D1FF89D670, 16 bytes long.
Data: < WT > D8 57 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x000001D1FF89CF90, 16 bytes long.
Data: <P T > 50 04 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{103} normal block at 0x000001D1FF89D530, 16 bytes long.
Data: <0 T > 30 04 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x000001D1FF89CEA0, 16 bytes long.
Data: < T > E0 02 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x000001D1FF89D710, 16 bytes long.
Data: < T > 10 04 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001D1FF89D440, 16 bytes long.
Data: <p T > 70 04 54 DF F6 7F 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001D1FF89D580, 16 bytes long.
Data: < R > 18 C0 52 DF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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