Task 38616336

Name HIF2A_2_A01_A11_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-1-6-RND4764_0
Workunit 31568267
Created 17 Apr 2026, 19:53:20 UTC
Sent 17 Apr 2026, 19:53:27 UTC
Report deadline 22 Apr 2026, 19:53:27 UTC
Received 17 Apr 2026, 23:45:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625832
Run time 3 hours 50 min 48 sec
CPU time 3 hours 31 min 12 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 5,076.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 455.02 MB
Peak swap size 4.93 GB
Peak disk usage 2.90 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:56:15 (10620): wrapper (7.9.26016): starting
21:56:15 (10620): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A11_0.pdb
QB_A01_A11_0.xml
QB_A01_A11.inpcrd
QB_A01_A11_input.yaml
QB_A01_A11.pdb
QB_A01_A11.prmtop
QB_A01_A11_sys.xml
run.bat
run.sh
21:56:23 (10620): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:56:23 (10620): 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 'D:\BoincmData\slots\6\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 'D:\BoincmData\slots\6\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
01:45:17 (10620): C:/Windows/system32/cmd.exe exited; CPU time 12672.000000
01:45:17 (10620): 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: 210659299 bytes.
Dumping objects ->
{3835464} normal block at 0x000001D93B1A4FD0, 48 bytes long.
 Data: <PATH=D:\BoincmDa> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 
{3835453} normal block at 0x000001D93CF476C0, 32 bytes long.
 Data: <HOME=D:\BoincmDa> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 
{3835442} normal block at 0x000001D93CF47420, 32 bytes long.
 Data: <TMP=D:\BoincmDat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 74 
{3835431} normal block at 0x000001D93CF47660, 32 bytes long.
 Data: <TEMP=D:\BoincmDa> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 
{3835420} normal block at 0x000001D93CF47540, 32 bytes long.
 Data: <TMPDIR=D:\Boincm> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 6D 
{3835389} normal block at 0x000001D93B1A5040, 48 bytes long.
 Data: <PATH=D:\BoincmDa> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 6D 44 61 
..\api\boinc_api.cpp(309) : {3835376} normal block at 0x000001D93B19DB60, 8 bytes long.
 Data: <  &#201;<&#217;   > 00 00 C9 3C D9 01 00 00 
{3833961} normal block at 0x000001D93B19D6B0, 8 bytes long.
 Data: <&#208;&#218; ;&#217;   > D0 DA 18 3B D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D93B191500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D93B192940, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001D93B1A6610, 16 bytes long.
 Data: <(l ;&#217;           > 28 6C 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D93B1A5990, 16 bytes long.
 Data: < l ;&#217;           > 00 6C 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D93B19FC50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001D93B1A5F30, 16 bytes long.
 Data: <&#216;k ;&#217;           > D8 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D93B1A5C60, 16 bytes long.
 Data: <&#176;k ;&#217;           > B0 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D93B1A6890, 16 bytes long.
 Data: < k ;&#217;           > 88 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D93B1A6570, 16 bytes long.
 Data: <`k ;&#217;           > 60 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D93B1A5200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001D93B1A6520, 16 bytes long.
 Data: <h&#184; ;&#217;           > 68 B8 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D93B1A0190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001D93B1A5C10, 16 bytes long.
 Data: <@&#184; ;&#217;           > 40 B8 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D93B1A64D0, 16 bytes long.
 Data: < &#184; ;&#217;           > 18 B8 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D93B1A6480, 16 bytes long.
 Data: <&#240;&#183; ;&#217;           > F0 B7 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D93B1A6430, 16 bytes long.
 Data: <&#200;&#183; ;&#217;           > C8 B7 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D93B1A5DA0, 16 bytes long.
 Data: <&#160;&#183; ;&#217;           > A0 B7 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D93B1A5EE0, 16 bytes long.
 Data: <x&#183; ;&#217;           > 78 B7 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D93B1A0790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001D93B1A63E0, 16 bytes long.
 Data: <P&#183; ;&#217;           > 50 B7 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D93B18B750, 320 bytes long.
 Data: <&#224;c ;&#217;      ;&#217;   > E0 63 1A 3B D9 01 00 00 90 07 1A 3B D9 01 00 00 
{276} normal block at 0x000001D93B1A5E90, 16 bytes long.
 Data: <@k ;&#217;           > 40 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D93B1A5E40, 16 bytes long.
 Data: < k ;&#217;           > 18 6B 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D93B1A0310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001D93B1A6390, 16 bytes long.
 Data: <&#240;j ;&#217;           > F0 6A 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D93B1A0610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001D93B1A5DF0, 16 bytes long.
 Data: <8j ;&#217;           > 38 6A 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D93B1A65C0, 16 bytes long.
 Data: < j ;&#217;           > 10 6A 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D93B1A6340, 16 bytes long.
 Data: <&#232;i ;&#217;           > E8 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D93B1A5B70, 16 bytes long.
 Data: <&#192;i ;&#217;           > C0 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D93B1A62F0, 16 bytes long.
 Data: < i ;&#217;           > 98 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D93B1A62A0, 16 bytes long.
 Data: <pi ;&#217;           > 70 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D93B1A6200, 16 bytes long.
 Data: <0M ;&#217;           > 30 4D 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D93B1A4D30, 40 bytes long.
 Data: < b ;&#217;   @P ;&#217;   > 00 62 1A 3B D9 01 00 00 40 50 1A 3B D9 01 00 00 
{262} normal block at 0x000001D93B1A67A0, 16 bytes long.
 Data: <Pi ;&#217;           > 50 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D93B1A60C0, 16 bytes long.
 Data: <(i ;&#217;           > 28 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D93B19FA10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001D93B1A5A30, 16 bytes long.
 Data: < i ;&#217;           > 00 69 1A 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D93B1A6900, 992 bytes long.
 Data: <0Z ;&#217;    &#250; ;&#217;   > 30 5A 1A 3B D9 01 00 00 10 FA 19 3B D9 01 00 00 
{94} normal block at 0x000001D93B19FBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001D93B19DD40, 16 bytes long.
 Data: <P&#232; ;&#217;           > 50 E8 18 3B D9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D93B18E850, 40 bytes long.
 Data: <@&#221; ;&#217;   &#240;&#251; ;&#217;   > 40 DD 19 3B D9 01 00 00 F0 FB 19 3B D9 01 00 00 
{71} normal block at 0x000001D93B19E420, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 13 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D93B19DBB0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 13 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D93B19D700, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D93B19DB10, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D93B19D7F0, 16 bytes long.
 Data: <P   &#246;           > 50 04 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D93B19DE30, 16 bytes long.
 Data: <0   &#246;           > 30 04 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D93B19DC50, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D93B19D930, 16 bytes long.
 Data: <    &#246;           > 10 04 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D93B19E3D0, 16 bytes long.
 Data: <p   &#246;           > 70 04 10 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D93B19DF20, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 0E 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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