Task 38583366

Name	HIF2A_A41_A30_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND3497_0
Workunit	31547509
Created	14 Dec 2025, 2:41:44 UTC
Sent	14 Dec 2025, 2:41:49 UTC
Report deadline	19 Dec 2025, 2:41:49 UTC
Received	14 Dec 2025, 18:04:56 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	609955
Run time	2 hours 59 min 16 sec
CPU time	2 hours 56 min 51 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	508.31 MB
Peak swap size	9.55 GB
Peak disk usage	2.97 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:05:04 (27128): wrapper (7.9.26016): starting
00:05:04 (27128): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A30_0.pdb
QB_A41_A30_0.xml
QB_A41_A30_equil.pdb
QB_A41_A30.inpcrd
QB_A41_A30_input.yaml
QB_A41_A30_mdlambda.pdb
QB_A41_A30_min.pdb
QB_A41_A30_npt.pdb
QB_A41_A30.pdb
QB_A41_A30.prmtop
QB_A41_A30_sys.xml
QB_A41_A30_therm.pdb
run.bat
run.sh
00:05:05 (27128): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:05:05 (27128): 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\4\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\4\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
03:02:33 (27128): C:/Windows/system32/cmd.exe exited; CPU time 10611.296875
03:02:33 (27128): 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: 202452649 bytes.
Dumping objects ->
{3835582} normal block at 0x00000281F26855D0, 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 0x00000281F47E18F0, 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 0x00000281F47E25B0, 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 0x00000281F47E21F0, 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 0x00000281F47E1C50, 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 0x00000281F2685560, 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 0x00000281F26EA8F0, 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 0x00000281F267E050, 8 bytes long.
 Data: <        > 00 00 19 F4 81 02 00 00 
{3834771} normal block at 0x00000281F26EA820, 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 0x00000281F267E3C0, 8 bytes long.
 Data: <P j     > 50 EB 6A F4 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000281F26712D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000281F2672CB0, 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 0x00000281F2686F90, 16 bytes long.
 Data: <xsh             > 78 73 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000281F26860E0, 16 bytes long.
 Data: <Psh             > 50 73 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000281F26803B0, 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 0x00000281F2686270, 16 bytes long.
 Data: <(sh             > 28 73 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000281F2686DB0, 16 bytes long.
 Data: < sh             > 00 73 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000281F26869A0, 16 bytes long.
 Data: <&#216;rh             > D8 72 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000281F26868B0, 16 bytes long.
 Data: <&#176;rh             > B0 72 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000281F2685870, 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 0x00000281F26865E0, 16 bytes long.
 Data: <h g             > 68 1E 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000281F2680A70, 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 0x00000281F26863B0, 16 bytes long.
 Data: <@ g             > 40 1E 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000281F2686860, 16 bytes long.
 Data: <  g             > 18 1E 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000281F2686810, 16 bytes long.
 Data: <  g             > F0 1D 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000281F2686090, 16 bytes long.
 Data: <&#200; g             > C8 1D 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000281F26867C0, 16 bytes long.
 Data: <  g             > A0 1D 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000281F26864A0, 16 bytes long.
 Data: <x g             > 78 1D 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000281F2680170, 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 0x00000281F2686F40, 16 bytes long.
 Data: <P g             > 50 1D 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000281F2671D50, 320 bytes long.
 Data: <@oh     p h     > 40 6F 68 F2 81 02 00 00 70 01 68 F2 81 02 00 00 
{280} normal block at 0x00000281F2686950, 16 bytes long.
 Data: < rh             > 90 72 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000281F2686360, 16 bytes long.
 Data: <hrh             > 68 72 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000281F2680950, 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 0x00000281F2686630, 16 bytes long.
 Data: <@rh             > 40 72 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000281F2680410, 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 0x00000281F26864F0, 16 bytes long.
 Data: < qh             > 88 71 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281F2686B30, 16 bytes long.
 Data: <`qh             > 60 71 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000281F2686AE0, 16 bytes long.
 Data: <8qh             > 38 71 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000281F2686770, 16 bytes long.
 Data: < qh             > 10 71 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000281F2686590, 16 bytes long.
 Data: < ph             > E8 70 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000281F2686180, 16 bytes long.
 Data: <&#192;ph             > C0 70 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000281F2686720, 16 bytes long.
 Data: < Xh             > 00 58 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000281F2685800, 40 bytes long.
 Data: < gh     `Uh     > 20 67 68 F2 81 02 00 00 60 55 68 F2 81 02 00 00 
{266} normal block at 0x00000281F2686A90, 16 bytes long.
 Data: < ph             > A0 70 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000281F2686EF0, 16 bytes long.
 Data: <xph             > 78 70 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000281F26802F0, 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 0x00000281F2686680, 16 bytes long.
 Data: <Pph             > 50 70 68 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000281F2687050, 992 bytes long.
 Data: < fh       h     > 80 66 68 F2 81 02 00 00 F0 02 68 F2 81 02 00 00 
{98} normal block at 0x00000281F2680050, 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 0x00000281F267E7D0, 16 bytes long.
 Data: <  g             > E0 1C 67 F2 81 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000281F2671CE0, 40 bytes long.
 Data: <&#208; g     P h     > D0 E7 67 F2 81 02 00 00 50 00 68 F2 81 02 00 00 
{73} normal block at 0x00000281F267DB50, 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 0x00000281F267E320, 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 0x00000281F267DF60, 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 0x00000281F267DA10, 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 0x00000281F267E460, 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 0x00000281F267E000, 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 0x00000281F267E370, 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 0x00000281F267D970, 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 0x00000281F267DBA0, 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 0x00000281F267E2D0, 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>
]]>