Task 38581801

Name HIF2A_A33_A12_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND9298_0
Workunit 31546220
Created 12 Dec 2025, 15:27:11 UTC
Sent 12 Dec 2025, 15:27:13 UTC
Report deadline 17 Dec 2025, 15:27:13 UTC
Received 13 Dec 2025, 5:13:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625157
Run time 4 hours 26 min 40 sec
CPU time 4 hours 26 min 40 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 485.06 MB
Peak swap size 12.50 GB
Peak disk usage 3.88 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:45:07 (23596): wrapper (7.9.26016): starting
01:45:07 (23596): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A12_0.pdb
QB_A33_A12_0.xml
QB_A33_A12_equil.pdb
QB_A33_A12.inpcrd
QB_A33_A12_input.yaml
QB_A33_A12_mdlambda.pdb
QB_A33_A12_min.pdb
QB_A33_A12_npt.pdb
QB_A33_A12.pdb
QB_A33_A12.prmtop
QB_A33_A12_sys.xml
QB_A33_A12_therm.pdb
run.bat
run.sh
01:45:08 (23596): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:45:08 (23596): 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
06:12:01 (23596): C:/Windows/system32/cmd.exe exited; CPU time 16000.453125
06:12:01 (23596): 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: 341065341 bytes.
Dumping objects ->
{3835259} normal block at 0x000001CFB52E57D0, 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 0x000001CFB70A50B0, 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 0x000001CFB70A42D0, 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 0x000001CFB70A4210, 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 0x000001CFB52E5300, 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 0x000001CFB52E53E0, 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 0x000001CFB52DD1B0, 8 bytes long.
 Data: <  %&#181;&#207;   > 00 00 25 B5 CF 01 00 00 
{3833955} normal block at 0x000001CFB52DDF20, 8 bytes long.
 Data: <&#240;F &#183;&#207;   > F0 46 0E B7 CF 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CFB52D10A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CFB52D2210, 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 0x000001CFB52E5ED0, 16 bytes long.
 Data: <&#200;k.&#181;&#207;           > C8 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CFB52E5AC0, 16 bytes long.
 Data: <&#160;k.&#181;&#207;           > A0 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CFB52E1730, 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 0x000001CFB52E5A70, 16 bytes long.
 Data: <xk.&#181;&#207;           > 78 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CFB52E61F0, 16 bytes long.
 Data: <Pk.&#181;&#207;           > 50 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CFB52E5C00, 16 bytes long.
 Data: <(k.&#181;&#207;           > 28 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CFB52E5D90, 16 bytes long.
 Data: < k.&#181;&#207;           > 00 6B 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CFB52E5220, 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 0x000001CFB52E5A20, 16 bytes long.
 Data: <&#200;&#241;,&#181;&#207;           > C8 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CFB52E12B0, 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 0x000001CFB52E5930, 16 bytes long.
 Data: <&#160;&#241;,&#181;&#207;           > A0 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CFB52E67E0, 16 bytes long.
 Data: <x&#241;,&#181;&#207;           > 78 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CFB52E5FC0, 16 bytes long.
 Data: <P&#241;,&#181;&#207;           > 50 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CFB52E66A0, 16 bytes long.
 Data: <(&#241;,&#181;&#207;           > 28 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CFB52E6380, 16 bytes long.
 Data: < &#241;,&#181;&#207;           > 00 F1 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CFB52E6650, 16 bytes long.
 Data: <&#216;&#240;,&#181;&#207;           > D8 F0 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CFB52E1130, 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 0x000001CFB52E58E0, 16 bytes long.
 Data: <&#176;&#240;,&#181;&#207;           > B0 F0 2C B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CFB52CF0B0, 320 bytes long.
 Data: <&#224;X.&#181;&#207;   0 .&#181;&#207;   > E0 58 2E B5 CF 01 00 00 30 11 2E B5 CF 01 00 00 
{273} normal block at 0x000001CFB52E5D40, 16 bytes long.
 Data: <&#224;j.&#181;&#207;           > E0 6A 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CFB52E6790, 16 bytes long.
 Data: <&#184;j.&#181;&#207;           > B8 6A 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CFB52E0FB0, 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 0x000001CFB52E6740, 16 bytes long.
 Data: < j.&#181;&#207;           > 90 6A 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CFB52E1250, 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 0x000001CFB52E60B0, 16 bytes long.
 Data: <&#216;i.&#181;&#207;           > D8 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CFB52E6830, 16 bytes long.
 Data: <&#176;i.&#181;&#207;           > B0 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CFB52E5F70, 16 bytes long.
 Data: < i.&#181;&#207;           > 88 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CFB52E5F20, 16 bytes long.
 Data: <`i.&#181;&#207;           > 60 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CFB52E59D0, 16 bytes long.
 Data: <8i.&#181;&#207;           > 38 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CFB52E63D0, 16 bytes long.
 Data: < i.&#181;&#207;           > 10 69 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CFB52E66F0, 16 bytes long.
 Data: <0U.&#181;&#207;           > 30 55 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CFB52E5530, 40 bytes long.
 Data: <&#240;f.&#181;&#207;   &#224;S.&#181;&#207;   > F0 66 2E B5 CF 01 00 00 E0 53 2E B5 CF 01 00 00 
{259} normal block at 0x000001CFB52E5B10, 16 bytes long.
 Data: <&#240;h.&#181;&#207;           > F0 68 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CFB52E64C0, 16 bytes long.
 Data: <&#200;h.&#181;&#207;           > C8 68 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CFB52E1D90, 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 0x000001CFB52E5CF0, 16 bytes long.
 Data: <&#160;h.&#181;&#207;           > A0 68 2E B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CFB52E68A0, 992 bytes long.
 Data: <&#240;\.&#181;&#207;     .&#181;&#207;   > F0 5C 2E B5 CF 01 00 00 90 1D 2E B5 CF 01 00 00 
{91} normal block at 0x000001CFB52E13D0, 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 0x000001CFB52DDED0, 16 bytes long.
 Data: <  -&#181;&#207;           > 90 02 2D B5 CF 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001CFB52D0290, 40 bytes long.
 Data: <&#208;&#222;-&#181;&#207;   &#208; .&#181;&#207;   > D0 DE 2D B5 CF 01 00 00 D0 13 2E B5 CF 01 00 00 
{68} normal block at 0x000001CFB52DE0B0, 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 0x000001CFB52DD520, 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 0x000001CFB52DD2F0, 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 0x000001CFB52DDCA0, 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 0x000001CFB52DD6B0, 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 0x000001CFB52DD700, 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 0x000001CFB52DDC00, 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 0x000001CFB52DE060, 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 0x000001CFB52DD4D0, 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 0x000001CFB52DD2A0, 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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