Task 38619366

Name HIF2A_2_A27_A19_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND7962_0
Workunit 31570739
Created 18 Apr 2026, 21:19:15 UTC
Sent 18 Apr 2026, 21:19:25 UTC
Report deadline 23 Apr 2026, 21:19:25 UTC
Received 19 Apr 2026, 0:53:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 541192
Run time 2 hours 8 min 24 sec
CPU time 1 hours 55 min 55 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 52,233.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 477.74 MB
Peak swap size 12.63 GB
Peak disk usage 2.89 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:46:10 (20752): wrapper (7.9.26016): starting
00:46:10 (20752): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A19_0.pdb
QB_A27_A19_0.xml
QB_A27_A19.inpcrd
QB_A27_A19_input.yaml
QB_A27_A19.pdb
QB_A27_A19.prmtop
QB_A27_A19_sys.xml
run.bat
run.sh
00:46:12 (20752): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:46:12 (20752): 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 'J:\BOINC\data\slots\32\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 'J:\BOINC\data\slots\32\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
02:53:02 (20752): C:/Windows/system32/cmd.exe exited; CPU time 6955.156250
02:53:02 (20752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 171012706 bytes.
Dumping objects ->
{3835584} normal block at 0x00000190BB026420, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835573} normal block at 0x00000190BCE67440, 32 bytes long.
 Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835562} normal block at 0x00000190BCE676E0, 32 bytes long.
 Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835551} normal block at 0x00000190BCE67AA0, 32 bytes long.
 Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835540} normal block at 0x00000190BCE67680, 32 bytes long.
 Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C 
{3835509} normal block at 0x00000190BB0262D0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835498} normal block at 0x00000190BCE2DD50, 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) : {3835495} normal block at 0x00000190BB01A370, 8 bytes long.
 Data: <  &#250;&#186;    > 00 00 FA BA 90 01 00 00 
{3834715} normal block at 0x00000190BCE2EF70, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000190BB01A280, 8 bytes long.
 Data: <p&#225; &#187;    > 70 E1 00 BB 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000190BB0117E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000190BB012C80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000190BB026C50, 16 bytes long.
 Data: < | &#187;            > 18 7C 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000190BB027510, 16 bytes long.
 Data: <&#240;{ &#187;            > F0 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000190BB0206F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000190BB026F70, 16 bytes long.
 Data: <&#200;{ &#187;            > C8 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000190BB026F20, 16 bytes long.
 Data: <&#160;{ &#187;            > A0 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000190BB026E30, 16 bytes long.
 Data: <x{ &#187;            > 78 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000190BB0276A0, 16 bytes long.
 Data: <P{ &#187;            > 50 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000190BB026030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000190BB026930, 16 bytes long.
 Data: <   &#187;            > 88 08 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000190BB020390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000190BB0274C0, 16 bytes long.
 Data: <`  &#187;            > 60 08 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000190BB026D90, 16 bytes long.
 Data: <8  &#187;            > 38 08 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000190BB027470, 16 bytes long.
 Data: <   &#187;            > 10 08 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000190BB026B60, 16 bytes long.
 Data: <&#232;  &#187;            > E8 07 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000190BB0273D0, 16 bytes long.
 Data: <&#192;  &#187;            > C0 07 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000190BB0271F0, 16 bytes long.
 Data: <   &#187;            > 98 07 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000190BB020A50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000190BB026AC0, 16 bytes long.
 Data: <p  &#187;            > 70 07 01 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000190BB010770, 320 bytes long.
 Data: <&#192;j &#187;    P  &#187;    > C0 6A 02 BB 90 01 00 00 50 0A 02 BB 90 01 00 00 
{290} normal block at 0x00000190BB026B10, 16 bytes long.
 Data: <0{ &#187;            > 30 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000190BB0272E0, 16 bytes long.
 Data: < { &#187;            > 08 7B 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000190BB020270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000190BB027650, 16 bytes long.
 Data: <&#224;z &#187;            > E0 7A 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000190BB0209F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000190BB027740, 16 bytes long.
 Data: <(z &#187;            > 28 7A 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000190BB026DE0, 16 bytes long.
 Data: < z &#187;            > 00 7A 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000190BB026E80, 16 bytes long.
 Data: <&#216;y &#187;            > D8 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000190BB027240, 16 bytes long.
 Data: <&#176;y &#187;            > B0 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000190BB0277E0, 16 bytes long.
 Data: < y &#187;            > 88 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000190BB0271A0, 16 bytes long.
 Data: <`y &#187;            > 60 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000190BB026C00, 16 bytes long.
 Data: < ^ &#187;            > 00 5E 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000190BB025E00, 40 bytes long.
 Data: < l &#187;    &#208;b &#187;    > 00 6C 02 BB 90 01 00 00 D0 62 02 BB 90 01 00 00 
{276} normal block at 0x00000190BB026ED0, 16 bytes long.
 Data: <@y &#187;            > 40 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000190BB026D40, 16 bytes long.
 Data: < y &#187;            > 18 79 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000190BB020D50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000190BB0270B0, 16 bytes long.
 Data: <&#240;x &#187;            > F0 78 02 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000190BB0278F0, 992 bytes long.
 Data: <&#176;p &#187;    P  &#187;    > B0 70 02 BB 90 01 00 00 50 0D 02 BB 90 01 00 00 
{108} normal block at 0x00000190BB020990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000190BB019C90, 16 bytes long.
 Data: <@&#221; &#187;            > 40 DD 00 BB 90 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000190BB00DD40, 40 bytes long.
 Data: < &#156; &#187;     	 &#187;    > 90 9C 01 BB 90 01 00 00 90 09 02 BB 90 01 00 00 
{85} normal block at 0x00000190BB01A0F0, 16 bytes long.
 Data: < &#234;q&#161;&#246;           > 80 EA 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000190BB019DD0, 16 bytes long.
 Data: <@&#233;q&#161;&#246;           > 40 E9 71 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000190BB01AAF0, 16 bytes long.
 Data: <&#248;Wn&#161;&#246;           > F8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000190BB01A730, 16 bytes long.
 Data: <&#216;Wn&#161;&#246;           > D8 57 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000190BB01A000, 16 bytes long.
 Data: <P n&#161;&#246;           > 50 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000190BB01A050, 16 bytes long.
 Data: <0 n&#161;&#246;           > 30 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000190BB019E70, 16 bytes long.
 Data: <&#224; n&#161;&#246;           > E0 02 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000190BB019FB0, 16 bytes long.
 Data: <  n&#161;&#246;           > 10 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000190BB01A690, 16 bytes long.
 Data: <p n&#161;&#246;           > 70 04 6E A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000190BB019C40, 16 bytes long.
 Data: < &#192;l&#161;&#246;           > 18 C0 6C A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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