Task 38614502

Name HIF2A_2_A20_A09_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND5228_0
Workunit 31566865
Created 17 Apr 2026, 13:38:47 UTC
Sent 17 Apr 2026, 13:39:59 UTC
Report deadline 22 Apr 2026, 13:39:59 UTC
Received 17 Apr 2026, 20:24:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639302
Run time 3 hours 31 min 13 sec
CPU time 3 hours 15 min 25 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 9,739.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 451.73 MB
Peak swap size 6.47 GB
Peak disk usage 2.87 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:54:21 (7996): wrapper (7.9.26016): starting
18:54:21 (7996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A09_0.pdb
QB_A20_A09_0.xml
QB_A20_A09.inpcrd
QB_A20_A09_input.yaml
QB_A20_A09.pdb
QB_A20_A09.prmtop
QB_A20_A09_sys.xml
run.bat
run.sh
18:54:22 (7996): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:54:22 (7996): 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
22:24:30 (7996): C:/Windows/system32/cmd.exe exited; CPU time 11725.687500
22:24:30 (7996): 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: 182960665 bytes.
Dumping objects ->
{3835276} normal block at 0x00000287FF6E12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x00000287FF6E15D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000287FF6E11E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x00000287FF6E14F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x00000287FF6E0FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x00000287FF78AFD0, 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) : {3835188} normal block at 0x00000287FEF56900, 8 bytes long.
 Data: <  &#241;&#254;&#135;   > 00 00 F1 FE 87 02 00 00 
{3833947} normal block at 0x00000287FEF57210, 8 bytes long.
 Data: < e&#130;&#255;&#135;   > 90 65 82 FF 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000287FEF611B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000287FEF4AF90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000287FEF62240, 16 bytes long.
 Data: <&#232;7&#246;&#254;&#135;           > E8 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000287FEF621F0, 16 bytes long.
 Data: <&#192;7&#246;&#254;&#135;           > C0 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000287FEF5D2E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000287FEF62FB0, 16 bytes long.
 Data: < 7&#246;&#254;&#135;           > 98 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000287FEF62F10, 16 bytes long.
 Data: <p7&#246;&#254;&#135;           > 70 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000287FEF62EC0, 16 bytes long.
 Data: <H7&#246;&#254;&#135;           > 48 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000287FEF62E70, 16 bytes long.
 Data: < 7&#246;&#254;&#135;           > 20 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000287FEF5B8C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000287FEF62E20, 16 bytes long.
 Data: <&#248;&#197;&#245;&#254;&#135;           > F8 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000287FEF5CBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000287FEF63000, 16 bytes long.
 Data: <&#208;&#197;&#245;&#254;&#135;           > D0 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000287FEF62510, 16 bytes long.
 Data: <&#168;&#197;&#245;&#254;&#135;           > A8 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000287FEF62290, 16 bytes long.
 Data: < &#197;&#245;&#254;&#135;           > 80 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000287FEF621A0, 16 bytes long.
 Data: <X&#197;&#245;&#254;&#135;           > 58 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000287FEF62B00, 16 bytes long.
 Data: <0&#197;&#245;&#254;&#135;           > 30 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000287FEF62BA0, 16 bytes long.
 Data: < &#197;&#245;&#254;&#135;           > 08 C5 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000287FEF5C860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000287FEF62AB0, 16 bytes long.
 Data: <&#224;&#196;&#245;&#254;&#135;           > E0 C4 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000287FEF5C4E0, 320 bytes long.
 Data: <&#176;*&#246;&#254;&#135;   `&#200;&#245;&#254;&#135;   > B0 2A F6 FE 87 02 00 00 60 C8 F5 FE 87 02 00 00 
{269} normal block at 0x00000287FEF623D0, 16 bytes long.
 Data: < 7&#246;&#254;&#135;           > 00 37 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000287FEF62A60, 16 bytes long.
 Data: <&#216;6&#246;&#254;&#135;           > D8 36 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000287FEF5CEC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000287FEF628D0, 16 bytes long.
 Data: <&#176;6&#246;&#254;&#135;           > B0 36 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000287FEF5CAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000287FEF62DD0, 16 bytes long.
 Data: <&#248;5&#246;&#254;&#135;           > F8 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000287FEF62C40, 16 bytes long.
 Data: <&#208;5&#246;&#254;&#135;           > D0 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000287FEF62D30, 16 bytes long.
 Data: <&#168;5&#246;&#254;&#135;           > A8 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000287FEF62BF0, 16 bytes long.
 Data: < 5&#246;&#254;&#135;           > 80 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000287FEF62650, 16 bytes long.
 Data: <X5&#246;&#254;&#135;           > 58 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000287FEF63050, 16 bytes long.
 Data: <05&#246;&#254;&#135;           > 30 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000287FEF629C0, 16 bytes long.
 Data: <0&#185;&#245;&#254;&#135;           > 30 B9 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000287FEF5B930, 40 bytes long.
 Data: <&#192;)&#246;&#254;&#135;   &#208;&#175;x&#255;&#135;   > C0 29 F6 FE 87 02 00 00 D0 AF 78 FF 87 02 00 00 
{255} normal block at 0x00000287FEF62830, 16 bytes long.
 Data: < 5&#246;&#254;&#135;           > 10 35 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000287FEF62F60, 16 bytes long.
 Data: <&#232;4&#246;&#254;&#135;           > E8 34 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000287FEF5C800, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000287FEF62D80, 16 bytes long.
 Data: <&#192;4&#246;&#254;&#135;           > C0 34 F6 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000287FEF634C0, 992 bytes long.
 Data: < -&#246;&#254;&#135;    &#200;&#245;&#254;&#135;   > 80 2D F6 FE 87 02 00 00 00 C8 F5 FE 87 02 00 00 
{87} normal block at 0x00000287FEF5D640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000287FEF568B0, 16 bytes long.
 Data: < &#182;&#245;&#254;&#135;           > 20 B6 F5 FE 87 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000287FEF5B620, 40 bytes long.
 Data: <&#176;h&#245;&#254;&#135;   @&#214;&#245;&#254;&#135;   > B0 68 F5 FE 87 02 00 00 40 D6 F5 FE 87 02 00 00 
{64} normal block at 0x00000287FEF56A40, 16 bytes long.
 Data: < &#234;O &#247;           > 80 EA 4F 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000287FEF56FE0, 16 bytes long.
 Data: <@&#233;O &#247;           > 40 E9 4F 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000287FEF56F90, 16 bytes long.
 Data: <&#248;WL &#247;           > F8 57 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000287FEF564A0, 16 bytes long.
 Data: <&#216;WL &#247;           > D8 57 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000287FEF57080, 16 bytes long.
 Data: <P L &#247;           > 50 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000287FEF564F0, 16 bytes long.
 Data: <0 L &#247;           > 30 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000287FEF56810, 16 bytes long.
 Data: <&#224; L &#247;           > E0 02 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000287FEF56590, 16 bytes long.
 Data: <  L &#247;           > 10 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000287FEF56860, 16 bytes long.
 Data: <p L &#247;           > 70 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000287FEF56680, 16 bytes long.
 Data: < &#192;J &#247;           > 18 C0 4A 17 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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