Task 38584377

Name HIF2A_A41_A01_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8210_3
Workunit 31546067
Created 17 Dec 2025, 12:26:57 UTC
Sent 17 Dec 2025, 12:27:01 UTC
Report deadline 22 Dec 2025, 12:27:01 UTC
Received 17 Dec 2025, 22:12:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 581723
Run time 9 hours 11 min 51 sec
CPU time 8 hours 12 min 12 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 2,746.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 472.11 MB
Peak swap size 4.91 GB
Peak disk usage 2.94 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
07:59:05 (15288): wrapper (7.9.26016): starting
07:59:05 (15288): 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
07:59:07 (15288): Library/usr/bin/tar.exe exited; CPU time 0.078125
07:59:07 (15288): 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\0\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\0\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
17:11:47 (15288): C:/Windows/system32/cmd.exe exited; CPU time 29532.093750
17:11:47 (15288): 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: 1566235937 bytes.
Dumping objects ->
{3835520} normal block at 0x0000026B3C5B3580, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835509} normal block at 0x0000026B3C5B35F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x0000026B3C5B3270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835487} normal block at 0x0000026B3C5B3200, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x0000026B3C5B3AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835445} normal block at 0x0000026B3C65DDE0, 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) : {3835432} normal block at 0x0000026B3C57E710, 8 bytes long.
 Data: <  &#171;<k   > 00 00 AB 3C 6B 02 00 00 
{3833979} normal block at 0x0000026B3C57DB80, 8 bytes long.
 Data: < g?>k   > 80 67 3F 3E 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000026B3C5718A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000026B3C5726B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x0000026B3C5886D0, 16 bytes long.
 Data: < &#146;X<k           > 88 92 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000026B3C588680, 16 bytes long.
 Data: <`&#146;X<k           > 60 92 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000026B3C5806B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x0000026B3C5887C0, 16 bytes long.
 Data: <8&#146;X<k           > 38 92 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026B3C588180, 16 bytes long.
 Data: < &#146;X<k           > 10 92 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026B3C588E50, 16 bytes long.
 Data: <&#232;&#145;X<k           > E8 91 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026B3C588770, 16 bytes long.
 Data: <&#192;&#145;X<k           > C0 91 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026B3C5868A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x0000026B3C588540, 16 bytes long.
 Data: <&#200;&#249;V<k           > C8 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026B3C5803B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x0000026B3C5885E0, 16 bytes long.
 Data: <&#160;&#249;V<k           > A0 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026B3C588E00, 16 bytes long.
 Data: <x&#249;V<k           > 78 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026B3C588130, 16 bytes long.
 Data: <P&#249;V<k           > 50 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026B3C588C20, 16 bytes long.
 Data: <(&#249;V<k           > 28 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026B3C588CC0, 16 bytes long.
 Data: < &#249;V<k           > 00 F9 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026B3C588A90, 16 bytes long.
 Data: <&#216;&#248;V<k           > D8 F8 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026B3C580FB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x0000026B3C588BD0, 16 bytes long.
 Data: <&#176;&#248;V<k           > B0 F8 56 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026B3C56F8B0, 320 bytes long.
 Data: <&#208;&#139;X<k   &#176; X<k   > D0 8B 58 3C 6B 02 00 00 B0 0F 58 3C 6B 02 00 00 
{285} normal block at 0x0000026B3C588040, 16 bytes long.
 Data: <&#160;&#145;X<k           > A0 91 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026B3C588950, 16 bytes long.
 Data: <x&#145;X<k           > 78 91 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026B3C580350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x0000026B3C5883B0, 16 bytes long.
 Data: <P&#145;X<k           > 50 91 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026B3C5802F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x0000026B3C587FF0, 16 bytes long.
 Data: <  X<k           > 98 90 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026B3C5880E0, 16 bytes long.
 Data: <p X<k           > 70 90 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B3C588EF0, 16 bytes long.
 Data: <H X<k           > 48 90 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026B3C588630, 16 bytes long.
 Data: <  X<k           > 20 90 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026B3C588360, 16 bytes long.
 Data: <&#248; X<k           > F8 8F 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026B3C588720, 16 bytes long.
 Data: <&#208; X<k           > D0 8F 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026B3C5884F0, 16 bytes long.
 Data: <PgX<k           > 50 67 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026B3C586750, 40 bytes long.
 Data: <&#240;&#132;X<k   &#224;&#221;e<k   > F0 84 58 3C 6B 02 00 00 E0 DD 65 3C 6B 02 00 00 
{271} normal block at 0x0000026B3C588590, 16 bytes long.
 Data: <&#176; X<k           > B0 8F 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026B3C588A40, 16 bytes long.
 Data: <  X<k           > 88 8F 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026B3C580B30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x0000026B3C588900, 16 bytes long.
 Data: <` X<k           > 60 8F 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026B3C588F60, 992 bytes long.
 Data: < &#137;X<k   0 X<k   > 00 89 58 3C 6B 02 00 00 30 0B 58 3C 6B 02 00 00 
{103} normal block at 0x0000026B3C580890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x0000026B3C57DF40, 16 bytes long.
 Data: <pfX<k           > 70 66 58 3C 6B 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000026B3C586670, 40 bytes long.
 Data: <@&#223;W<k     X<k   > 40 DF 57 3C 6B 02 00 00 90 08 58 3C 6B 02 00 00 
{80} normal block at 0x0000026B3C57DD10, 16 bytes long.
 Data: < &#234;> &#247;           > 80 EA 3E 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000026B3C57DD60, 16 bytes long.
 Data: <@&#233;> &#247;           > 40 E9 3E 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000026B3C57E490, 16 bytes long.
 Data: <&#248;W; &#247;           > F8 57 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000026B3C57DB30, 16 bytes long.
 Data: <&#216;W; &#247;           > D8 57 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000026B3C57E170, 16 bytes long.
 Data: <P ; &#247;           > 50 04 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000026B3C57E990, 16 bytes long.
 Data: <0 ; &#247;           > 30 04 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026B3C57E440, 16 bytes long.
 Data: <&#224; ; &#247;           > E0 02 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026B3C57E3F0, 16 bytes long.
 Data: <  ; &#247;           > 10 04 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026B3C57E120, 16 bytes long.
 Data: <p ; &#247;           > 70 04 3B 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026B3C57E800, 16 bytes long.
 Data: < &#192;9 &#247;           > 18 C0 39 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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