Task 38619805

Name HIF2A_2_A02_A24_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND2115_0
Workunit 31571114
Created 19 Apr 2026, 1:52:38 UTC
Sent 19 Apr 2026, 1:52:43 UTC
Report deadline 24 Apr 2026, 1:52:43 UTC
Received 19 Apr 2026, 3:42:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627914
Run time 1 hours 49 min 32 sec
CPU time 1 hours 51 min
Validate state Valid
Credit 750,000.00
Device peak FLOPS 84,059.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 485.60 MB
Peak swap size 12.74 GB
Peak disk usage 2.90 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:54:07 (24836): wrapper (7.9.26016): starting
21:54:07 (24836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A24_0.pdb
QB_A02_A24_0.xml
QB_A02_A24.inpcrd
QB_A02_A24_input.yaml
QB_A02_A24.pdb
QB_A02_A24.prmtop
QB_A02_A24_sys.xml
run.bat
run.sh
21:54:08 (24836): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:08 (24836): 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
23:41:45 (24836): C:/Windows/system32/cmd.exe exited; CPU time 6660.484375
23:41:45 (24836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 134590371 bytes.
Dumping objects ->
{3835632} normal block at 0x00000215C2ECB390, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835621} normal block at 0x00000215C2ECAF30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835610} normal block at 0x00000215C2ECAEC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835599} normal block at 0x00000215C2ECB860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835588} normal block at 0x00000215C2ECB320, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835557} normal block at 0x00000215C4C254F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835546} normal block at 0x00000215C4BAFCD0, 102 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) : {3835543} normal block at 0x00000215C2E9E0C0, 8 bytes long.
 Data: <  6&#195;    > 00 00 36 C3 15 02 00 00 
{3834738} normal block at 0x00000215C4BB07D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x00000215C2E9DF80, 8 bytes long.
 Data: < I&#191;&#196;    > 90 49 BF C4 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000215C2E91430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000215C2E92950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000215C2EA7520, 16 bytes long.
 Data: < y&#234;&#194;            > 08 79 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000215C2EA6B70, 16 bytes long.
 Data: <&#224;x&#234;&#194;            > E0 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000215C2EA08C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000215C2EA7070, 16 bytes long.
 Data: <&#184;x&#234;&#194;            > B8 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000215C2EA72F0, 16 bytes long.
 Data: < x&#234;&#194;            > 90 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000215C2EA6D50, 16 bytes long.
 Data: <hx&#234;&#194;            > 68 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000215C2EA73E0, 16 bytes long.
 Data: <@x&#234;&#194;            > 40 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000215C2EA4F90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000215C2EA6A80, 16 bytes long.
 Data: <&#184;d&#234;&#194;            > B8 64 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000215C2EA0440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000215C2EA6AD0, 16 bytes long.
 Data: < d&#234;&#194;            > 90 64 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000215C2EA7390, 16 bytes long.
 Data: <hd&#234;&#194;            > 68 64 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000215C2EA69E0, 16 bytes long.
 Data: <@d&#234;&#194;            > 40 64 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000215C2EA6CB0, 16 bytes long.
 Data: < d&#234;&#194;            > 18 64 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000215C2EA6F80, 16 bytes long.
 Data: <&#240;c&#234;&#194;            > F0 63 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000215C2EA6C60, 16 bytes long.
 Data: <&#200;c&#234;&#194;            > C8 63 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000215C2EA0860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000215C2EA7200, 16 bytes long.
 Data: <&#160;c&#234;&#194;            > A0 63 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000215C2EA63A0, 320 bytes long.
 Data: < r&#234;&#194;    ` &#234;&#194;    > 00 72 EA C2 15 02 00 00 60 08 EA C2 15 02 00 00 
{284} normal block at 0x00000215C2EA6940, 16 bytes long.
 Data: < x&#234;&#194;            > 20 78 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215C2EA68F0, 16 bytes long.
 Data: <&#248;w&#234;&#194;            > F8 77 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000215C2EA0260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000215C2EA6C10, 16 bytes long.
 Data: <&#208;w&#234;&#194;            > D0 77 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000215C2EA0680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000215C2EA6990, 16 bytes long.
 Data: < w&#234;&#194;            > 18 77 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000215C2EA6760, 16 bytes long.
 Data: <&#240;v&#234;&#194;            > F0 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000215C2EA6BC0, 16 bytes long.
 Data: <&#200;v&#234;&#194;            > C8 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000215C2EA6850, 16 bytes long.
 Data: <&#160;v&#234;&#194;            > A0 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000215C2EA68A0, 16 bytes long.
 Data: <xv&#234;&#194;            > 78 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000215C2EA7340, 16 bytes long.
 Data: <Pv&#234;&#194;            > 50 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215C2EA7020, 16 bytes long.
 Data: < P&#234;&#194;            > 00 50 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000215C2EA5000, 40 bytes long.
 Data: < p&#234;&#194;    &#240;T&#194;&#196;    > 20 70 EA C2 15 02 00 00 F0 54 C2 C4 15 02 00 00 
{270} normal block at 0x00000215C2EA7570, 16 bytes long.
 Data: <0v&#234;&#194;            > 30 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215C2EA71B0, 16 bytes long.
 Data: < v&#234;&#194;            > 08 76 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215C2EA04A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000215C2EA7430, 16 bytes long.
 Data: <&#224;u&#234;&#194;            > E0 75 EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215C2EA75E0, 992 bytes long.
 Data: <0t&#234;&#194;    &#160; &#234;&#194;    > 30 74 EA C2 15 02 00 00 A0 04 EA C2 15 02 00 00 
{102} normal block at 0x00000215C2EA06E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000215C2E9ECA0, 16 bytes long.
 Data: <&#176;N&#234;&#194;            > B0 4E EA C2 15 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000215C2EA4EB0, 40 bytes long.
 Data: <&#160;&#236;&#233;&#194;    &#224; &#234;&#194;    > A0 EC E9 C2 15 02 00 00 E0 06 EA C2 15 02 00 00 
{79} normal block at 0x00000215C2E9EC00, 16 bytes long.
 Data: < &#234; m&#246;           > 80 EA 15 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000215C2E9EBB0, 16 bytes long.
 Data: <@&#233; m&#246;           > 40 E9 15 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000215C2E9E610, 16 bytes long.
 Data: <&#248;W m&#246;           > F8 57 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000215C2E9EB10, 16 bytes long.
 Data: <&#216;W m&#246;           > D8 57 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000215C2E9E200, 16 bytes long.
 Data: <P  m&#246;           > 50 04 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000215C2E9E430, 16 bytes long.
 Data: <0  m&#246;           > 30 04 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000215C2E9E5C0, 16 bytes long.
 Data: <&#224;  m&#246;           > E0 02 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000215C2E9E840, 16 bytes long.
 Data: <   m&#246;           > 10 04 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000215C2E9E250, 16 bytes long.
 Data: <p  m&#246;           > 70 04 12 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000215C2E9E980, 16 bytes long.
 Data: < &#192; m&#246;           > 18 C0 10 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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