Task 38581912

Name	HIF2A_A41_A01_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND5451_0
Workunit	31546305
Created	12 Dec 2025, 17:15:17 UTC
Sent	12 Dec 2025, 17:15:26 UTC
Report deadline	17 Dec 2025, 17:15:26 UTC
Received	12 Dec 2025, 22:39:26 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	565703
Run time	2 hours 13 min 5 sec
CPU time	2 hours 13 min 5 sec
Validate state	Valid
Credit	750,000.00
Device peak FLOPS	82,584.66 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	492.60 MB
Peak swap size	12.80 GB
Peak disk usage	2.96 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:27:37 (1459368): wrapper (7.9.26016): starting
21:27:37 (1459368): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A01_0.pdb
QB_A41_A01_0.xml
QB_A41_A01_equil.pdb
QB_A41_A01.inpcrd
QB_A41_A01_input.yaml
QB_A41_A01_mdlambda.pdb
QB_A41_A01_min.pdb
QB_A41_A01_npt.pdb
QB_A41_A01.pdb
QB_A41_A01.prmtop
QB_A41_A01_sys.xml
QB_A41_A01_therm.pdb
run.bat
run.sh
21:27:38 (1459368): Library/usr/bin/tar.exe exited; CPU time 0.093750
21:27:38 (1459368): 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.
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
23:38:46 (1459368): C:/Windows/system32/cmd.exe exited; CPU time 7985.546875
23:38:46 (1459368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 164560765 bytes.
Dumping objects ->
{3835592} normal block at 0x0000029D25D607D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835581} normal block at 0x0000029D25D60920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835570} normal block at 0x0000029D25D60E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835559} normal block at 0x0000029D25D60840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x0000029D25D61560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835517} normal block at 0x0000029D25E195F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000029D24219930, 141 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) : {3835503} normal block at 0x0000029D241C1E80, 8 bytes long.
 Data: <   $    > 00 00 13 24 9D 02 00 00 
{3834721} normal block at 0x0000029D24219040, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x0000029D241C21F0, 8 bytes long.
 Data: <&#176; &#236;%    > B0 00 EC 25 9D 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000029D241B16A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000029D241AD9D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000029D241C16B0, 16 bytes long.
 Data: < ' $            > 18 27 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000029D241C19D0, 16 bytes long.
 Data: <&#240;& $            > F0 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000029D241BC020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000029D241C1610, 16 bytes long.
 Data: <&#200;& $            > C8 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000029D241C17F0, 16 bytes long.
 Data: <&#160;& $            > A0 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000029D241C1E30, 16 bytes long.
 Data: <x& $            > 78 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000029D241C1C00, 16 bytes long.
 Data: <P& $            > 50 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000029D241BE430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000029D241C22E0, 16 bytes long.
 Data: <   $            > 98 90 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029D241BC0E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000029D241C1F70, 16 bytes long.
 Data: <p  $            > 70 90 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029D241C2290, 16 bytes long.
 Data: <H  $            > 48 90 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029D241C1DE0, 16 bytes long.
 Data: <   $            > 20 90 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029D241C1A20, 16 bytes long.
 Data: <&#248;  $            > F8 8F 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029D241C1750, 16 bytes long.
 Data: <&#208;  $            > D0 8F 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029D241C1D40, 16 bytes long.
 Data: <&#168;  $            > A8 8F 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029D241BC4A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000029D241C2380, 16 bytes long.
 Data: <   $            > 80 8F 1A 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029D241A8F80, 320 bytes long.
 Data: < # $    &#160;&#196; $    > 80 23 1C 24 9D 02 00 00 A0 C4 1B 24 9D 02 00 00 
{290} normal block at 0x0000029D241C2060, 16 bytes long.
 Data: <0& $            > 30 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029D241C1CF0, 16 bytes long.
 Data: < & $            > 08 26 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029D241BC800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000029D241C1930, 16 bytes long.
 Data: <&#224;% $            > E0 25 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029D241BBF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000029D241C2150, 16 bytes long.
 Data: <(% $            > 28 25 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029D241C2240, 16 bytes long.
 Data: < % $            > 00 25 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029D241C2330, 16 bytes long.
 Data: <&#216;$ $            > D8 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029D241C1660, 16 bytes long.
 Data: <&#176;$ $            > B0 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029D241C18E0, 16 bytes long.
 Data: < $ $            > 88 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029D241C1CA0, 16 bytes long.
 Data: <`$ $            > 60 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029D241C1890, 16 bytes long.
 Data: <@&#231; $            > 40 E7 1B 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029D241BE740, 40 bytes long.
 Data: <   $    &#240;&#149;&#225;%    > 90 18 1C 24 9D 02 00 00 F0 95 E1 25 9D 02 00 00 
{276} normal block at 0x0000029D241C17A0, 16 bytes long.
 Data: <@$ $            > 40 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029D241C21A0, 16 bytes long.
 Data: < $ $            > 18 24 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029D241BC440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000029D241C1F20, 16 bytes long.
 Data: <&#240;# $            > F0 23 1C 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029D241C23F0, 992 bytes long.
 Data: <   $    @&#196; $    > 20 1F 1C 24 9D 02 00 00 40 C4 1B 24 9D 02 00 00 
{108} normal block at 0x0000029D241BC2C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000029D241AF630, 16 bytes long.
 Data: <&#192;&#227; $            > C0 E3 1B 24 9D 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000029D241BE3C0, 40 bytes long.
 Data: <0&#246; $    &#192;&#194; $    > 30 F6 1A 24 9D 02 00 00 C0 C2 1B 24 9D 02 00 00 
{85} normal block at 0x0000029D241AF3B0, 16 bytes long.
 Data: < &#234;ng&#246;           > 80 EA 6E 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000029D241AF310, 16 bytes long.
 Data: <@&#233;ng&#246;           > 40 E9 6E 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000029D241AF0E0, 16 bytes long.
 Data: <&#248;Wkg&#246;           > F8 57 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000029D241AF4F0, 16 bytes long.
 Data: <&#216;Wkg&#246;           > D8 57 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000029D241AF090, 16 bytes long.
 Data: <P kg&#246;           > 50 04 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000029D241AF900, 16 bytes long.
 Data: <0 kg&#246;           > 30 04 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000029D241AFC70, 16 bytes long.
 Data: <&#224; kg&#246;           > E0 02 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000029D241AF2C0, 16 bytes long.
 Data: <  kg&#246;           > 10 04 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000029D241AF220, 16 bytes long.
 Data: <p kg&#246;           > 70 04 6B 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000029D241AF130, 16 bytes long.
 Data: < &#192;ig&#246;           > 18 C0 69 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>