Task 38620082

Name HIF2A_2_A04_A15_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND7204_0
Workunit 31571352
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 19 Apr 2026, 9:46:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625157
Run time 4 hours 43 min 52 sec
CPU time 4 hours 41 min 42 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 479.09 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>
07:02:28 (35360): wrapper (7.9.26016): starting
07:02:28 (35360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A15_0.pdb
QB_A04_A15_0.xml
QB_A04_A15.inpcrd
QB_A04_A15_input.yaml
QB_A04_A15.pdb
QB_A04_A15.prmtop
QB_A04_A15_sys.xml
run.bat
run.sh
07:02:30 (35360): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:02:30 (35360): 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
11:45:09 (35360): C:/Windows/system32/cmd.exe exited; CPU time 16902.234375
11:45:09 (35360): 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: 324894309 bytes.
Dumping objects ->
{3835254} normal block at 0x000001AA4F204CD0, 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 0x000001AA51085640, 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 0x000001AA51086900, 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 0x000001AA51086360, 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 0x000001AA51086780, 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 0x000001AA4F204B80, 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 0x000001AA4F1FD120, 8 bytes long.
 Data: <  &#132;O&#170;   > 00 00 84 4F AA 01 00 00 
{3833955} normal block at 0x000001AA4F1FCFE0, 8 bytes long.
 Data: <&#224;&#214; O&#170;   > E0 D6 1E 4F AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001AA4F1F0AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AA4F1F2640, 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 0x000001AA4F205890, 16 bytes long.
 Data: <hg O&#170;           > 68 67 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AA4F2056B0, 16 bytes long.
 Data: <@g O&#170;           > 40 67 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AA4F200E10, 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 0x000001AA4F2054D0, 16 bytes long.
 Data: < g O&#170;           > 18 67 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AA4F2057F0, 16 bytes long.
 Data: <&#240;f O&#170;           > F0 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AA4F2059D0, 16 bytes long.
 Data: <&#200;f O&#170;           > C8 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AA4F205480, 16 bytes long.
 Data: <&#160;f O&#170;           > A0 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AA4F204870, 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 0x000001AA4F205C50, 16 bytes long.
 Data: <X  O&#170;           > 58 08 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AA4F201410, 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 0x000001AA4F205CA0, 16 bytes long.
 Data: <0  O&#170;           > 30 08 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA4F205C00, 16 bytes long.
 Data: <   O&#170;           > 08 08 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA4F206380, 16 bytes long.
 Data: <&#224;  O&#170;           > E0 07 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AA4F205E30, 16 bytes long.
 Data: <&#184;  O&#170;           > B8 07 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AA4F2062E0, 16 bytes long.
 Data: <   O&#170;           > 90 07 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AA4F205660, 16 bytes long.
 Data: <h  O&#170;           > 68 07 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AA4F200BD0, 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 0x000001AA4F2055C0, 16 bytes long.
 Data: <@  O&#170;           > 40 07 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AA4F200740, 320 bytes long.
 Data: <&#192;U O&#170;   &#208;  O&#170;   > C0 55 20 4F AA 01 00 00 D0 0B 20 4F AA 01 00 00 
{273} normal block at 0x000001AA4F205610, 16 bytes long.
 Data: < f O&#170;           > 80 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AA4F205930, 16 bytes long.
 Data: <Xf O&#170;           > 58 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AA4F201470, 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 0x000001AA4F205BB0, 16 bytes long.
 Data: <0f O&#170;           > 30 66 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AA4F201290, 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 0x000001AA4F206150, 16 bytes long.
 Data: <xe O&#170;           > 78 65 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AA4F2057A0, 16 bytes long.
 Data: <Pe O&#170;           > 50 65 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AA4F205520, 16 bytes long.
 Data: <(e O&#170;           > 28 65 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AA4F205FC0, 16 bytes long.
 Data: < e O&#170;           > 00 65 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AA4F205F70, 16 bytes long.
 Data: <&#216;d O&#170;           > D8 64 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AA4F205980, 16 bytes long.
 Data: <&#176;d O&#170;           > B0 64 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AA4F206240, 16 bytes long.
 Data: <&#192;I O&#170;           > C0 49 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AA4F2049C0, 40 bytes long.
 Data: <@b O&#170;    K O&#170;   > 40 62 20 4F AA 01 00 00 80 4B 20 4F AA 01 00 00 
{259} normal block at 0x000001AA4F205570, 16 bytes long.
 Data: < d O&#170;           > 90 64 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AA4F205D90, 16 bytes long.
 Data: <hd O&#170;           > 68 64 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AA4F200A50, 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 0x000001AA4F2063D0, 16 bytes long.
 Data: <@d O&#170;           > 40 64 20 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AA4F206440, 992 bytes long.
 Data: <&#208;c O&#170;   P  O&#170;   > D0 63 20 4F AA 01 00 00 50 0A 20 4F AA 01 00 00 
{91} normal block at 0x000001AA4F201110, 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 0x000001AA4F1FD4E0, 16 bytes long.
 Data: <@  O&#170;           > 40 03 1F 4F AA 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001AA4F1F0340, 40 bytes long.
 Data: <&#224;&#212; O&#170;      O&#170;   > E0 D4 1F 4F AA 01 00 00 10 11 20 4F AA 01 00 00 
{68} normal block at 0x000001AA4F1FD350, 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 0x000001AA4F1FD490, 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 0x000001AA4F1FD6C0, 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 0x000001AA4F1FDB20, 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 0x000001AA4F1FD440, 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 0x000001AA4F1FD300, 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 0x000001AA4F1FD3F0, 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 0x000001AA4F1FD210, 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 0x000001AA4F1FDE90, 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 0x000001AA4F1FD8F0, 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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