Task 38618758

Name HIF2A_2_A34_A04_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND2079_0
Workunit 31570205
Created 18 Apr 2026, 15:33:17 UTC
Sent 18 Apr 2026, 15:33:21 UTC
Report deadline 23 Apr 2026, 15:33:21 UTC
Received 19 Apr 2026, 11:13:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651254
Run time 2 hours 39 min 17 sec
CPU time 2 hours 32 min 25 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 16,206.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 462.43 MB
Peak swap size 8.01 GB
Peak disk usage 2.90 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:33:47 (46396): wrapper (7.9.26016): starting
04:33:47 (46396): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A04_0.pdb
QB_A34_A04_0.xml
QB_A34_A04.inpcrd
QB_A34_A04_input.yaml
QB_A34_A04.pdb
QB_A34_A04.prmtop
QB_A34_A04_sys.xml
run.bat
run.sh
04:33:48 (46396): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:33:48 (46396): 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 'F:\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 'F:\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
07:12:02 (46396): C:/Windows/system32/cmd.exe exited; CPU time 9145.031250
07:12:02 (46396): 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: 217841383 bytes.
Dumping objects ->
{3835197} normal block at 0x000001C2AC5F8730, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x000001C2AF1C8960, 32 bytes long.
 Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x000001C2AF1C88A0, 32 bytes long.
 Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x000001C2AF1C84E0, 32 bytes long.
 Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x000001C2AF1C8660, 32 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000001C2AC5F8180, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001C2AC5EC6B0, 8 bytes long.
 Data: <   &#172;&#194;   > 00 00 7F AC C2 01 00 00 
{3833959} normal block at 0x000001C2AC5EC610, 8 bytes long.
 Data: < &#230; &#175;&#194;   > 20 E6 08 AF C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C2AC5E2910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C2AC5E3EF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C2AC5F7200, 16 bytes long.
 Data: <8 _&#172;&#194;           > 38 80 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C2AC5F71B0, 16 bytes long.
 Data: <  _&#172;&#194;           > 10 80 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C2AC5F3F20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C2AC5F70C0, 16 bytes long.
 Data: <&#232; _&#172;&#194;           > E8 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C2AC5F7610, 16 bytes long.
 Data: <&#192; _&#172;&#194;           > C0 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C2AC5F7070, 16 bytes long.
 Data: <  _&#172;&#194;           > 98 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C2AC5F78E0, 16 bytes long.
 Data: <p _&#172;&#194;           > 70 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C2AC5F8500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C2AC5F73E0, 16 bytes long.
 Data: <&#200;&#254;]&#172;&#194;           > C8 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C2AC5F3620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C2AC5F75C0, 16 bytes long.
 Data: <&#160;&#254;]&#172;&#194;           > A0 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C2AC5F7020, 16 bytes long.
 Data: <x&#254;]&#172;&#194;           > 78 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C2AC5F6FD0, 16 bytes long.
 Data: <P&#254;]&#172;&#194;           > 50 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C2AC5F7480, 16 bytes long.
 Data: <(&#254;]&#172;&#194;           > 28 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C2AC5F7110, 16 bytes long.
 Data: < &#254;]&#172;&#194;           > 00 FE 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C2AC5F7840, 16 bytes long.
 Data: <&#216;&#253;]&#172;&#194;           > D8 FD 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C2AC5F3EC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C2AC5F7430, 16 bytes long.
 Data: <&#176;&#253;]&#172;&#194;           > B0 FD 5D AC C2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C2AC5DFDB0, 320 bytes long.
 Data: <0t_&#172;&#194;   &#192;>_&#172;&#194;   > 30 74 5F AC C2 01 00 00 C0 3E 5F AC C2 01 00 00 
{275} normal block at 0x000001C2AC5F6F30, 16 bytes long.
 Data: <P _&#172;&#194;           > 50 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C2AC5F7340, 16 bytes long.
 Data: <( _&#172;&#194;           > 28 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C2AC5F36E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C2AC5F6E90, 16 bytes long.
 Data: <  _&#172;&#194;           > 00 7F 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C2AC5F34A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C2AC5F79D0, 16 bytes long.
 Data: <H~_&#172;&#194;           > 48 7E 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C2AC5F7A70, 16 bytes long.
 Data: < ~_&#172;&#194;           > 20 7E 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C2AC5F6DF0, 16 bytes long.
 Data: <&#248;}_&#172;&#194;           > F8 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C2AC5F6D50, 16 bytes long.
 Data: <&#208;}_&#172;&#194;           > D0 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C2AC5F76B0, 16 bytes long.
 Data: <&#168;}_&#172;&#194;           > A8 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C2AC5F7570, 16 bytes long.
 Data: < }_&#172;&#194;           > 80 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C2AC5F6E40, 16 bytes long.
 Data: <&#240; ^&#172;&#194;           > F0 08 5E AC C2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C2AC5E08F0, 40 bytes long.
 Data: <@n_&#172;&#194;     _&#172;&#194;   > 40 6E 5F AC C2 01 00 00 80 81 5F AC C2 01 00 00 
{261} normal block at 0x000001C2AC5F7520, 16 bytes long.
 Data: <`}_&#172;&#194;           > 60 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C2AC5F7980, 16 bytes long.
 Data: <8}_&#172;&#194;           > 38 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C2AC5F33E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C2AC5F7930, 16 bytes long.
 Data: < }_&#172;&#194;           > 10 7D 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C2AC5F7D10, 992 bytes long.
 Data: <0y_&#172;&#194;   &#224;3_&#172;&#194;   > 30 79 5F AC C2 01 00 00 E0 33 5F AC C2 01 00 00 
{93} normal block at 0x000001C2AC5F3980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C2AC5ED150, 16 bytes long.
 Data: < 0_&#172;&#194;           > 10 30 5F AC C2 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C2AC5F3010, 40 bytes long.
 Data: <P&#209;^&#172;&#194;    9_&#172;&#194;   > 50 D1 5E AC C2 01 00 00 80 39 5F AC C2 01 00 00 
{70} normal block at 0x000001C2AC5ECE80, 16 bytes long.
 Data: < &#234;&#139; &#246;           > 80 EA 8B 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C2AC5ECD90, 16 bytes long.
 Data: <@&#233;&#139; &#246;           > 40 E9 8B 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C2AC5ED060, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C2AC5ED100, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C2AC5ECFC0, 16 bytes long.
 Data: <P   &#246;           > 50 04 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C2AC5ECA70, 16 bytes long.
 Data: <0   &#246;           > 30 04 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C2AC5ECE30, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C2AC5ECDE0, 16 bytes long.
 Data: <    &#246;           > 10 04 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C2AC5EC750, 16 bytes long.
 Data: <p   &#246;           > 70 04 88 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C2AC5EC5C0, 16 bytes long.
 Data: < &#192;&#134; &#246;           > 18 C0 86 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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