| Name | HIF2A_2_A28_A34_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND5759_0 |
| Workunit | 31572661 |
| Created | 20 Apr 2026, 11:34:10 UTC |
| Sent | 20 Apr 2026, 11:34:12 UTC |
| Report deadline | 25 Apr 2026, 11:34:12 UTC |
| Received | 20 Apr 2026, 19:26:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 598310 |
| Run time | 3 hours 23 min 1 sec |
| CPU time | 3 hours 20 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,444.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 431.67 MB |
| Peak swap size | 6.40 GB |
| Peak disk usage | 2.90 GB |
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:22:59 (47592): wrapper (7.9.26016): starting
06:22:59 (47592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A34_0.pdb
QB_A28_A34_0.xml
QB_A28_A34.inpcrd
QB_A28_A34_input.yaml
QB_A28_A34.pdb
QB_A28_A34.prmtop
QB_A28_A34_sys.xml
run.bat
run.sh
06:23:00 (47592): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:23:00 (47592): 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\3\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\3\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) : {3835111} normal block at 0x0000012F0063DBD0, 8 bytes long.
Data: < / > 00 00 11 02 2F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000012F0062D8B0, 1080 bytes long.
Data: < > D0 BB 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000012F00630A20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:47:53 (49732): wrapper (7.9.26016): starting
07:47:53 (49732): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1457} normal block at 0x000001DB3F2B6D20, 8 bytes long.
Data: < ? > 00 00 80 3F DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001DB3F2B7AC0, 1080 bytes long.
Data: <,v > 2C 76 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
08:34:15 (57020): wrapper (7.9.26016): starting
08:34:15 (57020): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1457} normal block at 0x000001CAE1556540, 8 bytes long.
Data: < > 00 00 E9 E2 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001CAE1556AC0, 1080 bytes long.
Data: <| > 7C EF 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:48:48 (57868): wrapper (7.9.26016): starting
08:48:48 (57868): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1457} normal block at 0x0000015136F25C30, 8 bytes long.
Data: < 6Q > 00 00 EB 36 51 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000015136F26840, 1080 bytes long.
Data: <L > 4C B7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:03:34 (59496): wrapper (7.9.26016): starting
09:03:34 (59496): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
12:26:34 (59496): C:/Windows/system32/cmd.exe exited; CPU time 12003.250000
12:26:34 (59496): 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: 219323542 bytes.
Dumping objects ->
{1545} normal block at 0x0000012FE3FE4F30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1534} normal block at 0x0000012FE3FE49F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1523} normal block at 0x0000012FE3FE4980, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1512} normal block at 0x0000012FE3FE4D70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1501} normal block at 0x0000012FE3FE4E50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1470} normal block at 0x0000012FE3FCF450, 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) : {1457} normal block at 0x0000012FE3FE6310, 8 bytes long.
Data: < / > 00 00 F7 E3 2F 01 00 00
{305} normal block at 0x0000012FE3FE5B90, 8 bytes long.
Data: < j / > C0 6A FE E3 2F 01 00 00
{296} normal block at 0x0000012FE3FD1FD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000012FE3FE6450, 16 bytes long.
Data: < i / > C8 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000012FE3FE57D0, 16 bytes long.
Data: < i / > A0 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000012FE3FE0000, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000012FE3FE5A00, 16 bytes long.
Data: <xi / > 78 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012FE3FE5AF0, 16 bytes long.
Data: <Pi / > 50 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012FE3FE5F50, 16 bytes long.
Data: <(i / > 28 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012FE3FE6270, 16 bytes long.
Data: < i / > 00 69 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012FE3FE4910, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000012FE3FE5870, 16 bytes long.
Data: < + / > 08 2B FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012FE3FE0300, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000012FE3FE5E10, 16 bytes long.
Data: < * / > E0 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000012FE3FE5730, 16 bytes long.
Data: < * / > B8 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000012FE3FE6220, 16 bytes long.
Data: < * / > 90 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012FE3FE5C30, 16 bytes long.
Data: <h* / > 68 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012FE3FE5C80, 16 bytes long.
Data: <@* / > 40 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012FE3FE6540, 16 bytes long.
Data: < * / > 18 2A FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012FE3FDF700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000012FE3FE6130, 16 bytes long.
Data: < ) / > F0 29 FD E3 2F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012FE3FD29F0, 320 bytes long.
Data: <0a / / > 30 61 FE E3 2F 01 00 00 00 F7 FD E3 2F 01 00 00
{275} normal block at 0x0000012FE3FE6090, 16 bytes long.
Data: < h / > E0 68 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012FE3FE5D20, 16 bytes long.
Data: < h / > B8 68 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012FE3FDFFA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000012FE3FE5820, 16 bytes long.
Data: < h / > 90 68 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012FE3FDFCA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000012FE3FE6590, 16 bytes long.
Data: < g / > D8 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000012FE3FE5F00, 16 bytes long.
Data: < g / > B0 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012FE3FE5BE0, 16 bytes long.
Data: < g / > 88 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012FE3FE6180, 16 bytes long.
Data: <`g / > 60 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012FE3FE5B40, 16 bytes long.
Data: <8g / > 38 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012FE3FE6400, 16 bytes long.
Data: < g / > 10 67 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012FE3FE62C0, 16 bytes long.
Data: < J / > D0 4A FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000012FE3FE4AD0, 40 bytes long.
Data: < b / P / > C0 62 FE E3 2F 01 00 00 50 F4 FC E3 2F 01 00 00
{261} normal block at 0x0000012FE3FE5AA0, 16 bytes long.
Data: < f / > F0 66 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000012FE3FE5EB0, 16 bytes long.
Data: < f / > C8 66 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000012FE3FDFE20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000012FE3FE56E0, 16 bytes long.
Data: < f / > A0 66 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000012FE3FE66A0, 992 bytes long.
Data: < V / / > E0 56 FE E3 2F 01 00 00 20 FE FD E3 2F 01 00 00
{93} normal block at 0x0000012FE3FDF5E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000012FE3FDDAE0, 16 bytes long.
Data: < H / > A0 48 FE E3 2F 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000012FE3FE48A0, 40 bytes long.
Data: < / / > E0 DA FD E3 2F 01 00 00 E0 F5 FD E3 2F 01 00 00
{70} normal block at 0x0000012FE3FDD310, 16 bytes long.
Data: < s > 80 EA 73 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000012FE3FDD220, 16 bytes long.
Data: <@ s > 40 E9 73 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000012FE3FDD450, 16 bytes long.
Data: < Wp > F8 57 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012FE3FDDFE0, 16 bytes long.
Data: < Wp > D8 57 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012FE3FDD270, 16 bytes long.
Data: <P p > 50 04 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012FE3FDD1D0, 16 bytes long.
Data: <0 p > 30 04 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012FE3FDD400, 16 bytes long.
Data: < p > E0 02 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012FE3FDDF40, 16 bytes long.
Data: < p > 10 04 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000012FE3FDD860, 16 bytes long.
Data: <p p > 70 04 70 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000012FE3FDDEF0, 16 bytes long.
Data: < n > 18 C0 6E 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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