Task 38620081

Name HIF2A_2_A29_A37_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND4192_0
Workunit 31571351
Created 19 Apr 2026, 5:00:54 UTC
Sent 19 Apr 2026, 5:00:59 UTC
Report deadline 24 Apr 2026, 5:00:59 UTC
Received 20 Apr 2026, 7:56:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625157
Run time 4 hours 3 min 5 sec
CPU time 4 hours 0 min 22 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 9,338.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 475.04 MB
Peak swap size 12.49 GB
Peak disk usage 2.90 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:48:47 (36400): wrapper (7.9.26016): starting
15:48:47 (36400): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A37_0.pdb
QB_A29_A37_0.xml
QB_A29_A37.inpcrd
QB_A29_A37_input.yaml
QB_A29_A37.pdb
QB_A29_A37.prmtop
QB_A29_A37_sys.xml
run.bat
run.sh
15:48:48 (36400): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:48 (36400): 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 'L:\BOINCProjects\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 'L:\BOINCProjects\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
19:50:32 (36400): C:/Windows/system32/cmd.exe exited; CPU time 14422.296875
19:50:32 (36400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 277146921 bytes.
Dumping objects ->
{3835254} normal block at 0x000002026B4B4C90, 48 bytes long.
 Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835243} normal block at 0x000002026D1A51D0, 32 bytes long.
 Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835232} normal block at 0x000002026D1A63D0, 32 bytes long.
 Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A 
{3835221} normal block at 0x000002026D1A5770, 32 bytes long.
 Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835210} normal block at 0x000002026D1A5EF0, 32 bytes long.
 Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50 
{3835179} normal block at 0x000002026B4B4BB0, 48 bytes long.
 Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
..\api\boinc_api.cpp(309) : {3835166} normal block at 0x000002026B4ADB20, 8 bytes long.
 Data: <  &#138;k    > 00 00 8A 6B 02 02 00 00 
{3833955} normal block at 0x000002026B4AD6C0, 8 bytes long.
 Data: <`&#215;Ik    > 60 D7 49 6B 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002026B4A1610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002026B49EB50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002026B4B5A70, 16 bytes long.
 Data: <&#216;eKk            > D8 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002026B4B5660, 16 bytes long.
 Data: <&#176;eKk            > B0 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002026B4B0B60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002026B4B55C0, 16 bytes long.
 Data: < eKk            > 88 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002026B4B5B10, 16 bytes long.
 Data: <`eKk            > 60 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002026B4B53E0, 16 bytes long.
 Data: <8eKk            > 38 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002026B4B61A0, 16 bytes long.
 Data: < eKk            > 10 65 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002026B4B47C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002026B4B5C50, 16 bytes long.
 Data: <&#200; Kk            > C8 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002026B4B0E00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002026B4B5E80, 16 bytes long.
 Data: <&#160; Kk            > A0 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002026B4B5DE0, 16 bytes long.
 Data: <x Kk            > 78 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002026B4B5A20, 16 bytes long.
 Data: <P Kk            > 50 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002026B4B5BB0, 16 bytes long.
 Data: <( Kk            > 28 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002026B4B5520, 16 bytes long.
 Data: <  Kk            > 00 06 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002026B4B54D0, 16 bytes long.
 Data: <&#216; Kk            > D8 05 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002026B4B1220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002026B4B5570, 16 bytes long.
 Data: <&#176; Kk            > B0 05 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002026B4B05B0, 320 bytes long.
 Data: <pUKk      Kk    > 70 55 4B 6B 02 02 00 00 20 12 4B 6B 02 02 00 00 
{273} normal block at 0x000002026B4B59D0, 16 bytes long.
 Data: <&#240;dKk            > F0 64 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002026B4B5D40, 16 bytes long.
 Data: <&#200;dKk            > C8 64 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002026B4B08C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002026B4B6150, 16 bytes long.
 Data: <&#160;dKk            > A0 64 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002026B4B11C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002026B4B5980, 16 bytes long.
 Data: <&#232;cKk            > E8 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002026B4B61F0, 16 bytes long.
 Data: <&#192;cKk            > C0 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002026B4B5930, 16 bytes long.
 Data: < cKk            > 98 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002026B4B58E0, 16 bytes long.
 Data: <pcKk            > 70 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002026B4B6100, 16 bytes long.
 Data: <HcKk            > 48 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002026B4B5C00, 16 bytes long.
 Data: < cKk            > 20 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002026B4B5CA0, 16 bytes long.
 Data: <PGKk            > 50 47 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002026B4B4750, 40 bytes long.
 Data: <&#160;\Kk    &#176;KKk    > A0 5C 4B 6B 02 02 00 00 B0 4B 4B 6B 02 02 00 00 
{259} normal block at 0x000002026B4B5430, 16 bytes long.
 Data: < cKk            > 00 63 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002026B4B5D90, 16 bytes long.
 Data: <&#216;bKk            > D8 62 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002026B4B1460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002026B4B5890, 16 bytes long.
 Data: <&#176;bKk            > B0 62 4B 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002026B4B62B0, 992 bytes long.
 Data: < XKk    ` Kk    > 90 58 4B 6B 02 02 00 00 60 14 4B 6B 02 02 00 00 
{91} normal block at 0x000002026B4B0DA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002026B4AD710, 16 bytes long.
 Data: <0&#211;Ik            > 30 D3 49 6B 02 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002026B49D330, 40 bytes long.
 Data: < &#215;Jk    &#160; Kk    > 10 D7 4A 6B 02 02 00 00 A0 0D 4B 6B 02 02 00 00 
{68} normal block at 0x000002026B4AD990, 16 bytes long.
 Data: < &#234;&#231;&#240;&#247;           > 80 EA E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002026B4AD1C0, 16 bytes long.
 Data: <@&#233;&#231;&#240;&#247;           > 40 E9 E7 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002026B4AD0D0, 16 bytes long.
 Data: <&#248;W&#228;&#240;&#247;           > F8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002026B4AD170, 16 bytes long.
 Data: <&#216;W&#228;&#240;&#247;           > D8 57 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002026B4AD530, 16 bytes long.
 Data: <P &#228;&#240;&#247;           > 50 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002026B4AD3F0, 16 bytes long.
 Data: <0 &#228;&#240;&#247;           > 30 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002026B4AD800, 16 bytes long.
 Data: <&#224; &#228;&#240;&#247;           > E0 02 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002026B4AD490, 16 bytes long.
 Data: <  &#228;&#240;&#247;           > 10 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002026B4ADBC0, 16 bytes long.
 Data: <p &#228;&#240;&#247;           > 70 04 E4 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002026B4ADAD0, 16 bytes long.
 Data: < &#192;&#226;&#240;&#247;           > 18 C0 E2 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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