Task 38581375

Name HIF2A_A16_A02_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND3801_0
Workunit 31545899
Created 12 Dec 2025, 10:46:14 UTC
Sent 12 Dec 2025, 10:46:26 UTC
Report deadline 17 Dec 2025, 10:46:26 UTC
Received 12 Dec 2025, 20:23:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625157
Run time 4 hours 26 min 53 sec
CPU time 4 hours 26 min 53 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 9,338.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 485.84 MB
Peak swap size 12.50 GB
Peak disk usage 2.94 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:57:13 (5812): wrapper (7.9.26016): starting
16:57:13 (5812): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A02_0.pdb
QB_A16_A02_0.xml
QB_A16_A02_equil.pdb
QB_A16_A02.inpcrd
QB_A16_A02_input.yaml
QB_A16_A02_mdlambda.pdb
QB_A16_A02_min.pdb
QB_A16_A02_npt.pdb
QB_A16_A02.pdb
QB_A16_A02.prmtop
QB_A16_A02_sys.xml
QB_A16_A02_therm.pdb
run.bat
run.sh
16:57:14 (5812): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:57:14 (5812): 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 'L:\BOINCProjects\slots\13\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 'L:\BOINCProjects\slots\13\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
21:22:26 (5812): C:/Windows/system32/cmd.exe exited; CPU time 16012.984375
21:22:26 (5812): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 344734879 bytes.
Dumping objects ->
{3835259} normal block at 0x000001F253814F70, 48 bytes long.
 Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835248} normal block at 0x000001F255535520, 32 bytes long.
 Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835237} normal block at 0x000001F255535F40, 32 bytes long.
 Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A 
{3835226} normal block at 0x000001F255535AC0, 32 bytes long.
 Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
{3835215} normal block at 0x000001F253814F00, 48 bytes long.
 Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50 
{3835184} normal block at 0x000001F253814E90, 48 bytes long.
 Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 
..\api\boinc_api.cpp(309) : {3835171} normal block at 0x000001F25380D310, 8 bytes long.
 Data: <  }S&#242;   > 00 00 7D 53 F2 01 00 00 
{3833955} normal block at 0x000001F25380DEA0, 8 bytes long.
 Data: < &#234;?U&#242;   > 10 EA 3F 55 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F253801210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F253801F70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001F253815740, 16 bytes long.
 Data: < i S&#242;           > 88 69 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F253816050, 16 bytes long.
 Data: <`i S&#242;           > 60 69 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F253811CC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001F253816280, 16 bytes long.
 Data: <8i S&#242;           > 38 69 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F253815E20, 16 bytes long.
 Data: < i S&#242;           > 10 69 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F2538158D0, 16 bytes long.
 Data: <&#232;h S&#242;           > E8 68 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F253816500, 16 bytes long.
 Data: <&#192;h S&#242;           > C0 68 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F253815050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001F2538162D0, 16 bytes long.
 Data: <&#184;&#237; S&#242;           > B8 ED 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F253811480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001F253815A60, 16 bytes long.
 Data: < &#237; S&#242;           > 90 ED 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F253816140, 16 bytes long.
 Data: <h&#237; S&#242;           > 68 ED 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F253815D80, 16 bytes long.
 Data: <@&#237; S&#242;           > 40 ED 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F2538160A0, 16 bytes long.
 Data: < &#237; S&#242;           > 18 ED 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F2538156A0, 16 bytes long.
 Data: <&#240;&#236; S&#242;           > F0 EC 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F2538157E0, 16 bytes long.
 Data: <&#200;&#236; S&#242;           > C8 EC 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F253811420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001F253816320, 16 bytes long.
 Data: <&#160;&#236; S&#242;           > A0 EC 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F2537FECA0, 320 bytes long.
 Data: < c S&#242;      S&#242;   > 20 63 81 53 F2 01 00 00 20 14 81 53 F2 01 00 00 
{273} normal block at 0x000001F253815E70, 16 bytes long.
 Data: <&#160;h S&#242;           > A0 68 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F253815F10, 16 bytes long.
 Data: <xh S&#242;           > 78 68 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F253810E20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001F253815A10, 16 bytes long.
 Data: <Ph S&#242;           > 50 68 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F253811180, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001F253815880, 16 bytes long.
 Data: < g S&#242;           > 98 67 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F253815F60, 16 bytes long.
 Data: <pg S&#242;           > 70 67 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F2538164B0, 16 bytes long.
 Data: <Hg S&#242;           > 48 67 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F253815EC0, 16 bytes long.
 Data: < g S&#242;           > 20 67 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F253816230, 16 bytes long.
 Data: <&#248;f S&#242;           > F8 66 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F253815C40, 16 bytes long.
 Data: <&#208;f S&#242;           > D0 66 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F253816550, 16 bytes long.
 Data: <&#176;T S&#242;           > B0 54 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F2538154B0, 40 bytes long.
 Data: <Pe S&#242;    N S&#242;   > 50 65 81 53 F2 01 00 00 90 4E 81 53 F2 01 00 00 
{259} normal block at 0x000001F2538159C0, 16 bytes long.
 Data: <&#176;f S&#242;           > B0 66 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F253816410, 16 bytes long.
 Data: < f S&#242;           > 88 66 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F253810EE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001F253815790, 16 bytes long.
 Data: <`f S&#242;           > 60 66 81 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F253816660, 992 bytes long.
 Data: < W S&#242;   &#224;  S&#242;   > 90 57 81 53 F2 01 00 00 E0 0E 81 53 F2 01 00 00 
{91} normal block at 0x000001F253810E80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001F25380D1D0, 16 bytes long.
 Data: <p&#227; S&#242;           > 70 E3 7F 53 F2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001F2537FE370, 40 bytes long.
 Data: <&#208;&#209; S&#242;      S&#242;   > D0 D1 80 53 F2 01 00 00 80 0E 81 53 F2 01 00 00 
{68} normal block at 0x000001F25380D770, 16 bytes long.
 Data: < &#234;&#158;M&#246;           > 80 EA 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F25380D180, 16 bytes long.
 Data: <@&#233;&#158;M&#246;           > 40 E9 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F25380DB30, 16 bytes long.
 Data: <&#248;W&#155;M&#246;           > F8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F25380D4F0, 16 bytes long.
 Data: <&#216;W&#155;M&#246;           > D8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F25380DDB0, 16 bytes long.
 Data: <P &#155;M&#246;           > 50 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F25380D450, 16 bytes long.
 Data: <0 &#155;M&#246;           > 30 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F25380DA90, 16 bytes long.
 Data: <&#224; &#155;M&#246;           > E0 02 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F25380D630, 16 bytes long.
 Data: <  &#155;M&#246;           > 10 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F25380DE50, 16 bytes long.
 Data: <p &#155;M&#246;           > 70 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F25380DF90, 16 bytes long.
 Data: < &#192; M&#246;           > 18 C0 99 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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