Task 38581386

Name HIF2A_A17_A16_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7847_0
Workunit 31545910
Created 12 Dec 2025, 10:46:34 UTC
Sent 12 Dec 2025, 10:46:50 UTC
Report deadline 17 Dec 2025, 10:46:50 UTC
Received 13 Dec 2025, 0:45:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625157
Run time 4 hours 21 min 23 sec
CPU time 4 hours 21 min 23 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 485.44 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>
21:23:37 (38304): wrapper (7.9.26016): starting
21:23:37 (38304): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A16_0.pdb
QB_A17_A16_0.xml
QB_A17_A16_equil.pdb
QB_A17_A16.inpcrd
QB_A17_A16_input.yaml
QB_A17_A16_mdlambda.pdb
QB_A17_A16_min.pdb
QB_A17_A16_npt.pdb
QB_A17_A16.pdb
QB_A17_A16.prmtop
QB_A17_A16_sys.xml
QB_A17_A16_therm.pdb
run.bat
run.sh
21:23:38 (38304): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:23:38 (38304): 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
01:43:55 (38304): C:/Windows/system32/cmd.exe exited; CPU time 15683.343750
01:43:55 (38304): 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: 333625811 bytes.
Dumping objects ->
{3835259} normal block at 0x000001843C696D60, 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 0x000001843E466E30, 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 0x000001843E466350, 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 0x000001843E465CF0, 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 0x000001843C696CF0, 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 0x000001843C696E40, 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 0x000001843C68DAA0, 8 bytes long.
 Data: <  &#181;<&#132;   > 00 00 B5 3C 84 01 00 00 
{3833955} normal block at 0x000001843C68D050, 8 bytes long.
 Data: <&#176;dG>&#132;   > B0 64 47 3E 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001843C681CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001843C67F4D0, 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 0x000001843C697B70, 16 bytes long.
 Data: <&#200; i<&#132;           > C8 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001843C697E40, 16 bytes long.
 Data: <&#160; i<&#132;           > A0 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001843C691020, 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 0x000001843C697CB0, 16 bytes long.
 Data: <x i<&#132;           > 78 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001843C697A30, 16 bytes long.
 Data: <P i<&#132;           > 50 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001843C698160, 16 bytes long.
 Data: <( i<&#132;           > 28 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001843C697760, 16 bytes long.
 Data: <  i<&#132;           > 00 07 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001843C6971C0, 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 0x000001843C697AD0, 16 bytes long.
 Data: <&#232; h<&#132;           > E8 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001843C6910E0, 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 0x000001843C697EE0, 16 bytes long.
 Data: <&#192; h<&#132;           > C0 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001843C697710, 16 bytes long.
 Data: <  h<&#132;           > 98 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001843C697C60, 16 bytes long.
 Data: <p h<&#132;           > 70 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001843C697670, 16 bytes long.
 Data: <H h<&#132;           > 48 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001843C697BC0, 16 bytes long.
 Data: <  h<&#132;           > 20 00 68 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001843C6976C0, 16 bytes long.
 Data: <&#248;&#255;g<&#132;           > F8 FF 67 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001843C691560, 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 0x000001843C698200, 16 bytes long.
 Data: <&#208;&#255;g<&#132;           > D0 FF 67 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001843C67FFD0, 320 bytes long.
 Data: < &#130;i<&#132;   ` i<&#132;   > 00 82 69 3C 84 01 00 00 60 15 69 3C 84 01 00 00 
{273} normal block at 0x000001843C697990, 16 bytes long.
 Data: <&#224; i<&#132;           > E0 06 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001843C6982A0, 16 bytes long.
 Data: <&#184; i<&#132;           > B8 06 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001843C691380, 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 0x000001843C6975D0, 16 bytes long.
 Data: <  i<&#132;           > 90 06 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001843C691320, 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 0x000001843C697F30, 16 bytes long.
 Data: <&#216; i<&#132;           > D8 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001843C697530, 16 bytes long.
 Data: <&#176; i<&#132;           > B0 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001843C6974E0, 16 bytes long.
 Data: <  i<&#132;           > 88 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001843C6983E0, 16 bytes long.
 Data: <` i<&#132;           > 60 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001843C6978F0, 16 bytes long.
 Data: <8 i<&#132;           > 38 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001843C698250, 16 bytes long.
 Data: <  i<&#132;           > 10 05 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001843C697580, 16 bytes long.
 Data: <0ri<&#132;           > 30 72 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001843C697230, 40 bytes long.
 Data: < ui<&#132;   @ni<&#132;   > 80 75 69 3C 84 01 00 00 40 6E 69 3C 84 01 00 00 
{259} normal block at 0x000001843C697C10, 16 bytes long.
 Data: <&#240; i<&#132;           > F0 04 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001843C6977B0, 16 bytes long.
 Data: <&#200; i<&#132;           > C8 04 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001843C691500, 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 0x000001843C698340, 16 bytes long.
 Data: <&#160; i<&#132;           > A0 04 69 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001843C6904A0, 992 bytes long.
 Data: <@&#131;i<&#132;     i<&#132;   > 40 83 69 3C 84 01 00 00 00 15 69 3C 84 01 00 00 
{91} normal block at 0x000001843C690E40, 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 0x000001843C68DD20, 16 bytes long.
 Data: <&#176;&#210;g<&#132;           > B0 D2 67 3C 84 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001843C67D2B0, 40 bytes long.
 Data: < &#221;h<&#132;   @ i<&#132;   > 20 DD 68 3C 84 01 00 00 40 0E 69 3C 84 01 00 00 
{68} normal block at 0x000001843C68CFB0, 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 0x000001843C68DAF0, 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 0x000001843C68DC30, 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 0x000001843C68DA00, 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 0x000001843C68D280, 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 0x000001843C68D6E0, 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 0x000001843C68D550, 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 0x000001843C68DBE0, 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 0x000001843C68CF60, 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 0x000001843C68D8C0, 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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