Task 38582151

Name	HIF2A_A18_A07_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND0826_0
Workunit	31546511
Created	12 Dec 2025, 22:16:32 UTC
Sent	12 Dec 2025, 22:16:40 UTC
Report deadline	17 Dec 2025, 22:16:40 UTC
Received	13 Dec 2025, 2:36:02 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	609955
Run time	3 hours 1 min 2 sec
CPU time	2 hours 58 min 16 sec
Validate state	Valid
Credit	750,000.00
Device peak FLOPS	22,593.39 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	513.56 MB
Peak swap size	9.55 GB
Peak disk usage	3.08 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:34:03 (26524): wrapper (7.9.26016): starting
08:34:03 (26524): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A07_0.pdb
QB_A18_A07_0.xml
QB_A18_A07_equil.pdb
QB_A18_A07.inpcrd
QB_A18_A07_input.yaml
QB_A18_A07_mdlambda.pdb
QB_A18_A07_min.pdb
QB_A18_A07_npt.pdb
QB_A18_A07.pdb
QB_A18_A07.prmtop
QB_A18_A07_sys.xml
QB_A18_A07_therm.pdb
run.bat
run.sh
08:34:04 (26524): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:34:04 (26524): 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 'D:\BOINC\slots\10\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 'D:\BOINC\slots\10\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
11:33:25 (26524): C:/Windows/system32/cmd.exe exited; CPU time 10696.406250
11:33:25 (26524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 198938563 bytes.
Dumping objects ->
{3835582} normal block at 0x0000029AF33D5870, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835571} normal block at 0x0000029AF5481B30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835560} normal block at 0x0000029AF5482430, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835549} normal block at 0x0000029AF5482310, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835538} normal block at 0x0000029AF54821F0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835507} normal block at 0x0000029AF33D5720, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835496} normal block at 0x0000029AF343A340, 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) : {3835493} normal block at 0x0000029AF33CE410, 8 bytes long.
 Data: <  :     > 00 00 3A F3 9A 02 00 00 
{3834771} normal block at 0x0000029AF343A0D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834073} normal block at 0x0000029AF33CE3C0, 8 bytes long.
 Data: <P       > 50 EB F3 F4 9A 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000029AF33C1910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029AF33C2B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000029AF33D60E0, 16 bytes long.
 Data: <xs=             > 78 73 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029AF33D6090, 16 bytes long.
 Data: <Ps=             > 50 73 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029AF33CFE70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000029AF33D6F90, 16 bytes long.
 Data: <(s=             > 28 73 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029AF33D6F40, 16 bytes long.
 Data: < s=             > 00 73 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029AF33D6680, 16 bytes long.
 Data: <&#216;r=             > D8 72 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029AF33D6220, 16 bytes long.
 Data: <&#176;r=             > B0 72 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029AF33D5950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000029AF33D6EF0, 16 bytes long.
 Data: <h <             > 68 1E 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029AF33D01D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000029AF33D6BD0, 16 bytes long.
 Data: <@ <             > 40 1E 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029AF33D6E50, 16 bytes long.
 Data: <  <             > 18 1E 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029AF33D6630, 16 bytes long.
 Data: <  <             > F0 1D 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029AF33D65E0, 16 bytes long.
 Data: <&#200; <             > C8 1D 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029AF33D6DB0, 16 bytes long.
 Data: <  <             > A0 1D 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029AF33D6EA0, 16 bytes long.
 Data: <x <             > 78 1D 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029AF33CFF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000029AF33D6B80, 16 bytes long.
 Data: <P <             > 50 1D 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029AF33C1D50, 320 bytes long.
 Data: < k=       <     > 80 6B 3D F3 9A 02 00 00 90 FF 3C F3 9A 02 00 00 
{280} normal block at 0x0000029AF33D64F0, 16 bytes long.
 Data: < r=             > 90 72 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029AF33D6B30, 16 bytes long.
 Data: <hr=             > 68 72 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029AF33D02F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000029AF33D6590, 16 bytes long.
 Data: <@r=             > 40 72 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029AF33D07D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000029AF33D67C0, 16 bytes long.
 Data: < q=             > 88 71 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029AF33D6810, 16 bytes long.
 Data: <`q=             > 60 71 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029AF33D69A0, 16 bytes long.
 Data: <8q=             > 38 71 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029AF33D61D0, 16 bytes long.
 Data: < q=             > 10 71 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029AF33D64A0, 16 bytes long.
 Data: < p=             > E8 70 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029AF33D6E00, 16 bytes long.
 Data: <&#192;p=             > C0 70 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029AF33D6540, 16 bytes long.
 Data: <&#208;U=             > D0 55 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029AF33D55D0, 40 bytes long.
 Data: <@e=      W=     > 40 65 3D F3 9A 02 00 00 20 57 3D F3 9A 02 00 00 
{266} normal block at 0x0000029AF33D6360, 16 bytes long.
 Data: < p=             > A0 70 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029AF33D62C0, 16 bytes long.
 Data: <xp=             > 78 70 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029AF33CFED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000029AF33D69F0, 16 bytes long.
 Data: <Pp=             > 50 70 3D F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029AF33D7050, 992 bytes long.
 Data: < i=     &#208; <     > F0 69 3D F3 9A 02 00 00 D0 FE 3C F3 9A 02 00 00 
{98} normal block at 0x0000029AF33D0470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000029AF33CE370, 16 bytes long.
 Data: <  <             > E0 1C 3C F3 9A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000029AF33C1CE0, 40 bytes long.
 Data: <p <     p =     > 70 E3 3C F3 9A 02 00 00 70 04 3D F3 9A 02 00 00 
{73} normal block at 0x0000029AF33CE320, 16 bytes long.
 Data: <  Sg            > 80 EA 53 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029AF33CD8D0, 16 bytes long.
 Data: <@ Sg            > 40 E9 53 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029AF33CE780, 16 bytes long.
 Data: < WPg            > F8 57 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029AF33CDD30, 16 bytes long.
 Data: <&#216;WPg            > D8 57 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029AF33CE2D0, 16 bytes long.
 Data: <P Pg            > 50 04 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029AF33CDCE0, 16 bytes long.
 Data: <0 Pg            > 30 04 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029AF33CE5A0, 16 bytes long.
 Data: <  Pg            > E0 02 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029AF33CE500, 16 bytes long.
 Data: <  Pg            > 10 04 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029AF33CDD80, 16 bytes long.
 Data: <p Pg            > 70 04 50 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029AF33CDAB0, 16 bytes long.
 Data: < &#192;Ng            > 18 C0 4E 67 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>