Task 38614881

Name HIF2A_2_A26_A11_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND5868_1
Workunit 31566898
Created 17 Apr 2026, 13:48:30 UTC
Sent 17 Apr 2026, 13:55:07 UTC
Report deadline 22 Apr 2026, 13:55:07 UTC
Received 17 Apr 2026, 17:52:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 3 hours 53 min 22 sec
CPU time 3 hours 53 min 22 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 15,306.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 463.88 MB
Peak swap size 12.48 GB
Peak disk usage 3.55 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
07:01:10 (5700): wrapper (7.9.26016): starting
07:01:10 (5700): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A11_0.pdb
QB_A26_A11_0.xml
QB_A26_A11.inpcrd
QB_A26_A11_input.yaml
QB_A26_A11.pdb
QB_A26_A11.prmtop
QB_A26_A11_sys.xml
run.bat
run.sh
07:01:11 (5700): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:01:11 (5700): 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
10:52:16 (5700): C:/Windows/system32/cmd.exe exited; CPU time 14002.390625
10:52:16 (5700): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 208843260 bytes.
Dumping objects ->
{3835265} normal block at 0x0000016E484D13A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000016E484D1330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000016E484D1250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000016E484D07D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000016E484D1090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000016E4857C140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000016E484D2D20, 85 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) : {3835176} normal block at 0x0000016E469F5C60, 8 bytes long.
 Data: <  5Hn   > 00 00 35 48 6E 01 00 00 
{3834554} normal block at 0x0000016E484D2960, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000016E469F5D00, 8 bytes long.
 Data: <&#208;OMHn   > D0 4F 4D 48 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016E469FFD40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016E469EAE40, 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 0x0000016E46A01640, 16 bytes long.
 Data: <H2&#160;Fn           > 48 32 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016E46A01320, 16 bytes long.
 Data: < 2&#160;Fn           > 20 32 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016E469FBB70, 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 0x0000016E46A01000, 16 bytes long.
 Data: <&#248;1&#160;Fn           > F8 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016E46A015F0, 16 bytes long.
 Data: <&#208;1&#160;Fn           > D0 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016E46A012D0, 16 bytes long.
 Data: <&#168;1&#160;Fn           > A8 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016E46A01230, 16 bytes long.
 Data: < 1&#160;Fn           > 80 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016E469FADE0, 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 0x0000016E46A015A0, 16 bytes long.
 Data: < [&#158;Fn           > 18 5B 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016E469FC830, 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 0x0000016E46A014B0, 16 bytes long.
 Data: <&#240;Z&#158;Fn           > F0 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016E46A013C0, 16 bytes long.
 Data: <&#200;Z&#158;Fn           > C8 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016E46A00BA0, 16 bytes long.
 Data: <&#160;Z&#158;Fn           > A0 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016E46A011E0, 16 bytes long.
 Data: <xZ&#158;Fn           > 78 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016E46A00D30, 16 bytes long.
 Data: <PZ&#158;Fn           > 50 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016E46A01910, 16 bytes long.
 Data: <(Z&#158;Fn           > 28 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016E469FBCF0, 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 0x0000016E46A00CE0, 16 bytes long.
 Data: < Z&#158;Fn           > 00 5A 9E 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016E469E5A00, 320 bytes long.
 Data: <&#224; &#160;Fn   &#240;&#188;&#159;Fn   > E0 0C A0 46 6E 01 00 00 F0 BC 9F 46 6E 01 00 00 
{269} normal block at 0x0000016E46A01190, 16 bytes long.
 Data: <`1&#160;Fn           > 60 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016E46A01140, 16 bytes long.
 Data: <81&#160;Fn           > 38 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016E469FC7D0, 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 0x0000016E46A010F0, 16 bytes long.
 Data: < 1&#160;Fn           > 10 31 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016E469FC4D0, 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 0x0000016E46A00C90, 16 bytes long.
 Data: <X0&#160;Fn           > 58 30 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016E46A01690, 16 bytes long.
 Data: <00&#160;Fn           > 30 30 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016E46A01550, 16 bytes long.
 Data: < 0&#160;Fn           > 08 30 A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016E46A01370, 16 bytes long.
 Data: <&#224;/&#160;Fn           > E0 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016E46A01500, 16 bytes long.
 Data: <&#184;/&#160;Fn           > B8 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016E46A017D0, 16 bytes long.
 Data: < /&#160;Fn           > 90 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016E46A01280, 16 bytes long.
 Data: <@&#171;&#159;Fn           > 40 AB 9F 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016E469FAB40, 40 bytes long.
 Data: <  &#160;Fn   @&#193;WHn   > 80 12 A0 46 6E 01 00 00 40 C1 57 48 6E 01 00 00 
{255} normal block at 0x0000016E46A01460, 16 bytes long.
 Data: <p/&#160;Fn           > 70 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016E46A01A00, 16 bytes long.
 Data: <H/&#160;Fn           > 48 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016E469FC0B0, 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 0x0000016E46A00F10, 16 bytes long.
 Data: < /&#160;Fn           > 20 2F A0 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016E46A02F20, 992 bytes long.
 Data: <  &#160;Fn   &#176;&#192;&#159;Fn   > 10 0F A0 46 6E 01 00 00 B0 C0 9F 46 6E 01 00 00 
{87} normal block at 0x0000016E469FBFF0, 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 0x0000016E469F6430, 16 bytes long.
 Data: < &#172;&#159;Fn           > 20 AC 9F 46 6E 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000016E469FAC20, 40 bytes long.
 Data: <0d&#159;Fn   &#240;&#191;&#159;Fn   > 30 64 9F 46 6E 01 00 00 F0 BF 9F 46 6E 01 00 00 
{64} normal block at 0x0000016E469F6160, 16 bytes long.
 Data: < &#234;` &#247;           > 80 EA 60 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016E469F5F30, 16 bytes long.
 Data: <@&#233;` &#247;           > 40 E9 60 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016E469F5AD0, 16 bytes long.
 Data: <&#248;W] &#247;           > F8 57 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016E469F5A80, 16 bytes long.
 Data: <&#216;W] &#247;           > D8 57 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016E469F5BC0, 16 bytes long.
 Data: <P ] &#247;           > 50 04 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016E469F5F80, 16 bytes long.
 Data: <0 ] &#247;           > 30 04 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016E469F67A0, 16 bytes long.
 Data: <&#224; ] &#247;           > E0 02 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016E469F5B70, 16 bytes long.
 Data: <  ] &#247;           > 10 04 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016E469F6390, 16 bytes long.
 Data: <p ] &#247;           > 70 04 5D 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016E469F6340, 16 bytes long.
 Data: < &#192;[ &#247;           > 18 C0 5B 0D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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