Task 38621791
| Name | HIF2A_2_A04_A06_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND6271_0 |
| Workunit | 31572638 |
| Created | 20 Apr 2026, 11:25:18 UTC |
| Sent | 20 Apr 2026, 11:25:20 UTC |
| Report deadline | 25 Apr 2026, 11:25:20 UTC |
| Received | 20 Apr 2026, 21:51:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635638 |
| Run time | 5 hours 53 min 12 sec |
| CPU time | 5 hours 18 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,383.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 496.95 MB |
| Peak swap size | 9.84 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:57:58 (6944): wrapper (7.9.26016): starting
14:57:58 (6944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A06_0.pdb
QB_A04_A06_0.xml
QB_A04_A06.inpcrd
QB_A04_A06_input.yaml
QB_A04_A06.pdb
QB_A04_A06.prmtop
QB_A04_A06_sys.xml
run.bat
run.sh
14:57:59 (6944): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:57:59 (6944): 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\5\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\5\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) : {3835635} normal block at 0x000002518A99DDF0, 8 bytes long.
Data: < Q > 00 00 97 8A 51 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834080} normal block at 0x000002518A98D8E0, 1080 bytes long.
Data: < > 10 07 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002518A990EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:56:02 (8288): wrapper (7.9.26016): starting
17:56:02 (8288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001B11F95D580, 8 bytes long.
Data: < > 00 00 DF 1F B1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001B11F94D910, 1080 bytes long.
Data: < > 0C 85 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001B11F951260, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:05:31 (26988): wrapper (7.9.26016): starting
18:05:31 (26988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000002110182D2A0, 8 bytes long.
Data: < > 00 00 D9 01 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x0000021103A27B20, 1080 bytes long.
Data: < \ > B8 9C 00 00 CD CD CD CD 5C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000021101820D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:10:41 (40492): wrapper (7.9.26016): starting
18:10:41 (40492): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001981BCFDE40, 8 bytes long.
Data: < > 00 00 11 1C 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001981BCED910, 1080 bytes long.
Data: <T > 54 A2 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001981BCF1260, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:17:12 (41820): wrapper (7.9.26016): starting
19:17:12 (41820): 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) : {3850318} normal block at 0x000001EA5B24D5B0, 8 bytes long.
Data: < [ > 00 00 1D 5B EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001EA5B32E900, 1080 bytes long.
Data: <| L > 7C A2 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001EA5B241620, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:20:31 (8028): wrapper (7.9.26016): starting
19:20:31 (8028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000002A50D62DF80, 8 bytes long.
Data: < > 00 00 B5 0D A5 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000002A50D61D910, 1080 bytes long.
Data: < y > 04 79 00 00 CD CD CD CD E8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002A50D620EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:25:08 (41208): wrapper (7.9.26016): starting
19:25:08 (41208): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x00000288829DDD30, 8 bytes long.
Data: < > 00 00 EB 82 88 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x0000028884AD7B20, 1080 bytes long.
Data: < > 80 90 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000288829D0EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:42:32 (40032): wrapper (7.9.26016): starting
19:42:33 (40032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\5\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
22:50:51 (40032): C:/Windows/system32/cmd.exe exited; CPU time 10228.375000
22:50:51 (40032): 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: 173991422 bytes.
Dumping objects ->
{3850407} normal block at 0x000001F501687660, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850396} normal block at 0x000001F501687200, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850385} normal block at 0x000001F5016875F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850374} normal block at 0x000001F501687AC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850363} normal block at 0x000001F501687CF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850332} normal block at 0x000001F5015ACE50, 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) : {3850318} normal block at 0x000001F57F4BD580, 8 bytes long.
Data: < > 00 00 96 7F F5 01 00 00
{3848764} normal block at 0x000001F57F4BD990, 8 bytes long.
Data: < J > 10 D9 4A 7F F5 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F57F4B0EA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001F57F4B2630, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001F57F4C60E0, 16 bytes long.
Data: <xiL > 78 69 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F57F4C5E10, 16 bytes long.
Data: <PiL > 50 69 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F57F4C0050, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001F57F4C5DC0, 16 bytes long.
Data: <(iL > 28 69 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F57F4C5D70, 16 bytes long.
Data: < iL > 00 69 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F57F4C5D20, 16 bytes long.
Data: < hL > D8 68 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F57F4C5CD0, 16 bytes long.
Data: < hL > B0 68 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F57F4C3A40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001F57F4C5C80, 16 bytes long.
Data: < J > A8 B6 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F57F4BF7B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001F57F4C5C30, 16 bytes long.
Data: < J > 80 B6 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F57F4C5BE0, 16 bytes long.
Data: <X J > 58 B6 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F57F4C5B90, 16 bytes long.
Data: <0 J > 30 B6 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F57F4C6220, 16 bytes long.
Data: < J > 08 B6 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F57F4C5AF0, 16 bytes long.
Data: < J > E0 B5 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F57F4C5A00, 16 bytes long.
Data: < J > B8 B5 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F57F4C03B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001F57F4C59B0, 16 bytes long.
Data: < J > 90 B5 4A 7F F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F57F4AB590, 320 bytes long.
Data: < YL L > B0 59 4C 7F F5 01 00 00 B0 03 4C 7F F5 01 00 00
{282} normal block at 0x000001F57F4C5960, 16 bytes long.
Data: < hL > 90 68 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F57F4C6090, 16 bytes long.
Data: <hhL > 68 68 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F57F4BF8D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001F57F4C5910, 16 bytes long.
Data: <@hL > 40 68 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F57F4BFB70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001F57F4C61D0, 16 bytes long.
Data: < gL > 88 67 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F57F4C5FF0, 16 bytes long.
Data: <`gL > 60 67 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F57F4C5870, 16 bytes long.
Data: <8gL > 38 67 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F57F4C6040, 16 bytes long.
Data: < gL > 10 67 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F57F4C5820, 16 bytes long.
Data: < fL > E8 66 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F57F4C5FA0, 16 bytes long.
Data: < fL > C0 66 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F57F4C5B40, 16 bytes long.
Data: <`@L > 60 40 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F57F4C4060, 40 bytes long.
Data: <@[L P Z > 40 5B 4C 7F F5 01 00 00 50 CE 5A 01 F5 01 00 00
{268} normal block at 0x000001F57F4C5AA0, 16 bytes long.
Data: < fL > A0 66 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F57F4C5EB0, 16 bytes long.
Data: <xfL > 78 66 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F57F4C0530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001F57F4C5A50, 16 bytes long.
Data: <PfL > 50 66 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F57F4C6650, 992 bytes long.
Data: <PZL 0 L > 50 5A 4C 7F F5 01 00 00 30 05 4C 7F F5 01 00 00
{100} normal block at 0x000001F57F4BF930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001F57F4BD4E0, 16 bytes long.
Data: <@AL > 40 41 4C 7F F5 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001F57F4C4140, 40 bytes long.
Data: < K 0 K > E0 D4 4B 7F F5 01 00 00 30 F9 4B 7F F5 01 00 00
{75} normal block at 0x000001F57F4BD850, 16 bytes long.
Data: < > 80 EA C2 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F57F4BD620, 16 bytes long.
Data: <@ > 40 E9 C2 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F57F4BD3A0, 16 bytes long.
Data: < W > F8 57 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F57F4BE1B0, 16 bytes long.
Data: < W > D8 57 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F57F4BD9E0, 16 bytes long.
Data: <P > 50 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F57F4BD7B0, 16 bytes long.
Data: <0 > 30 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F57F4BE110, 16 bytes long.
Data: < > E0 02 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F57F4BD5D0, 16 bytes long.
Data: < > 10 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F57F4BDDF0, 16 bytes long.
Data: <p > 70 04 BF D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F57F4BDDA0, 16 bytes long.
Data: < > 18 C0 BD D5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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