Task 38583176
| Name | HIF2A_A25_A28_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND8217_1 |
| Workunit | 31547352 |
| Created | 13 Dec 2025, 21:37:44 UTC |
| Sent | 13 Dec 2025, 21:37:52 UTC |
| Report deadline | 18 Dec 2025, 21:37:52 UTC |
| Received | 14 Dec 2025, 9:58:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648094 |
| Run time | 2 hours 37 min 56 sec |
| CPU time | 2 hours 37 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,154.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 462.03 MB |
| Peak swap size | 12.56 GB |
| Peak disk usage | 3.73 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:00:06 (13772): wrapper (7.9.26016): starting
01:00:06 (13772): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A28_0.pdb
QB_A25_A28_0.xml
QB_A25_A28_equil.pdb
QB_A25_A28.inpcrd
QB_A25_A28_input.yaml
QB_A25_A28_mdlambda.pdb
QB_A25_A28_min.pdb
QB_A25_A28_npt.pdb
QB_A25_A28.pdb
QB_A25_A28.prmtop
QB_A25_A28_sys.xml
QB_A25_A28_therm.pdb
run.bat
run.sh
01:00:07 (13772): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:00:07 (13772): 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\8\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\8\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.
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
03:37:08 (13772): C:/Windows/system32/cmd.exe exited; CPU time 9467.515625
03:37:08 (13772): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 151575803 bytes.
Dumping objects ->
{3835566} normal block at 0x000001BC6E602E40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x000001BC6E603000, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x000001BC6E602B30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835533} normal block at 0x000001BC6E602DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835522} normal block at 0x000001BC6E602F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835491} normal block at 0x000001BC703D92A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x000001BC6E5ED6C0, 235 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) : {3835477} normal block at 0x000001BC6E5FDB00, 8 bytes long.
Data: < ¬n¼ > 00 00 AC 6E BC 01 00 00
{3834701} normal block at 0x000001BC6E6DEEC0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000001BC6E5FD5B0, 8 bytes long.
Data: < ‘bn¼ > 10 91 62 6E BC 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001BC6E5F0700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BC6E5F15B0, 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 0x000001BC6E604180, 16 bytes long.
Data: <ÈM`n¼ > C8 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BC6E603FF0, 16 bytes long.
Data: < M`n¼ > A0 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BC6E600650, 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 0x000001BC6E6044F0, 16 bytes long.
Data: <xM`n¼ > 78 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BC6E603D20, 16 bytes long.
Data: <PM`n¼ > 50 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BC6E604220, 16 bytes long.
Data: <(M`n¼ > 28 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BC6E603CD0, 16 bytes long.
Data: < M`n¼ > 00 4D 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BC6E5EC310, 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 0x000001BC6E6039B0, 16 bytes long.
Data: <hî^n¼ > 68 EE 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BC6E600470, 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 0x000001BC6E604630, 16 bytes long.
Data: <@î^n¼ > 40 EE 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BC6E603BE0, 16 bytes long.
Data: < î^n¼ > 18 EE 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BC6E6041D0, 16 bytes long.
Data: <ðí^n¼ > F0 ED 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BC6E603C80, 16 bytes long.
Data: <Èí^n¼ > C8 ED 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BC6E603F50, 16 bytes long.
Data: < í^n¼ > A0 ED 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BC6E603820, 16 bytes long.
Data: <xí^n¼ > 78 ED 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BC6E600B30, 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 0x000001BC6E603910, 16 bytes long.
Data: <Pí^n¼ > 50 ED 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BC6E5EED50, 320 bytes long.
Data: < 9`n¼ 0 `n¼ > 10 39 60 6E BC 01 00 00 30 0B 60 6E BC 01 00 00
{272} normal block at 0x000001BC6E603F00, 16 bytes long.
Data: <àL`n¼ > E0 4C 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BC6E603FA0, 16 bytes long.
Data: <¸L`n¼ > B8 4C 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BC6E6005F0, 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 0x000001BC6E603C30, 16 bytes long.
Data: < L`n¼ > 90 4C 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BC6E600590, 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 0x000001BC6E603960, 16 bytes long.
Data: <ØK`n¼ > D8 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BC6E603D70, 16 bytes long.
Data: <°K`n¼ > B0 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BC6E6040E0, 16 bytes long.
Data: < K`n¼ > 88 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BC6E603E60, 16 bytes long.
Data: <`K`n¼ > 60 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BC6E604590, 16 bytes long.
Data: <8K`n¼ > 38 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BC6E604310, 16 bytes long.
Data: < K`n¼ > 10 4B 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BC6E603A50, 16 bytes long.
Data: <0½^n¼ > 30 BD 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BC6E5EBD30, 40 bytes long.
Data: <P:`n¼  ’=p¼ > 50 3A 60 6E BC 01 00 00 A0 92 3D 70 BC 01 00 00
{258} normal block at 0x000001BC6E603EB0, 16 bytes long.
Data: <ðJ`n¼ > F0 4A 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BC6E6043B0, 16 bytes long.
Data: <ÈJ`n¼ > C8 4A 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BC6E601070, 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 0x000001BC6E603B90, 16 bytes long.
Data: < J`n¼ > A0 4A 60 6E BC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001BC6E604AA0, 992 bytes long.
Data: < ;`n¼ p `n¼ > 90 3B 60 6E BC 01 00 00 70 10 60 6E BC 01 00 00
{90} normal block at 0x000001BC6E6009B0, 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 0x000001BC6E5FDAB0, 16 bytes long.
Data: < ú^n¼ > 80 FA 5E 6E BC 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001BC6E5EFA80, 40 bytes long.
Data: <°Ú_n¼ ° `n¼ > B0 DA 5F 6E BC 01 00 00 B0 09 60 6E BC 01 00 00
{67} normal block at 0x000001BC6E5FD100, 16 bytes long.
Data: < ê¼ ÷ > 80 EA BC 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BC6E5FD510, 16 bytes long.
Data: <@é¼ ÷ > 40 E9 BC 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BC6E5FCE30, 16 bytes long.
Data: <øW¹ ÷ > F8 57 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BC6E5FD2E0, 16 bytes long.
Data: <ØW¹ ÷ > D8 57 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BC6E5FD1A0, 16 bytes long.
Data: <P ¹ ÷ > 50 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BC6E5FD290, 16 bytes long.
Data: <0 ¹ ÷ > 30 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BC6E5FD150, 16 bytes long.
Data: <à ¹ ÷ > E0 02 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BC6E5FD0B0, 16 bytes long.
Data: < ¹ ÷ > 10 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BC6E5FD330, 16 bytes long.
Data: <p ¹ ÷ > 70 04 B9 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BC6E5FCC50, 16 bytes long.
Data: < À· ÷ > 18 C0 B7 98 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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