Task 38583166

Name HIF2A_A36_A09_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND9264_0
Workunit 31547347
Created 13 Dec 2025, 21:22:34 UTC
Sent 13 Dec 2025, 21:22:39 UTC
Report deadline 18 Dec 2025, 21:22:39 UTC
Received 14 Dec 2025, 3:32:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 4 hours 54 min 57 sec
CPU time 4 hours 53 min 46 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 83,073.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 487.50 MB
Peak swap size 12.79 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:35:16 (29076): wrapper (7.9.26016): starting
14:35:16 (29076): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
14:35:17 (29076): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:35:17 (29076): 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 'C:\ProgramData\BOINC\slots\18\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 'C:\ProgramData\BOINC\slots\18\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
19:31:39 (29076): C:/Windows/system32/cmd.exe exited; CPU time 17626.000000
19:31:39 (29076): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 297511415 bytes.
Dumping objects ->
{3835312} normal block at 0x00000218E9C6CD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835301} normal block at 0x00000218E9C6CDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835290} normal block at 0x00000218E9C6C960, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835279} normal block at 0x00000218E7FB4A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x00000218E7FB4AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835237} normal block at 0x00000218E9CB7CF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000218E9CCE730, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835223} normal block at 0x00000218E7FAD2A0, 8 bytes long.
 Data: <  8&#232;    > 00 00 38 E8 18 02 00 00 
{3834575} normal block at 0x00000218E9CCE260, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000218E7FADC00, 8 bytes long.
 Data: < &#214;&#249;&#231;    > 00 D6 F9 E7 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000218E7FA08B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000218E7FA1810, 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 0x00000218E7FB5930, 16 bytes long.
 Data: < g&#251;&#231;            > 18 67 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000218E7FB5750, 16 bytes long.
 Data: <&#240;f&#251;&#231;            > F0 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000218E7FB0D20, 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 0x00000218E7FB6240, 16 bytes long.
 Data: <&#200;f&#251;&#231;            > C8 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218E7FB61F0, 16 bytes long.
 Data: <&#160;f&#251;&#231;            > A0 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000218E7FB5CA0, 16 bytes long.
 Data: <xf&#251;&#231;            > 78 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000218E7FB5980, 16 bytes long.
 Data: <Pf&#251;&#231;            > 50 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000218E7FB4E40, 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 0x00000218E7FB6150, 16 bytes long.
 Data: <8 &#250;&#231;            > 38 06 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000218E7FB1500, 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 0x00000218E7FB5700, 16 bytes long.
 Data: <  &#250;&#231;            > 10 06 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218E7FB5BB0, 16 bytes long.
 Data: <&#232; &#250;&#231;            > E8 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000218E7FB5610, 16 bytes long.
 Data: <&#192; &#250;&#231;            > C0 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000218E7FB5C50, 16 bytes long.
 Data: <  &#250;&#231;            > 98 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000218E7FB6380, 16 bytes long.
 Data: <p &#250;&#231;            > 70 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000218E7FB5E30, 16 bytes long.
 Data: <H &#250;&#231;            > 48 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000218E7FB0BA0, 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 0x00000218E7FB56B0, 16 bytes long.
 Data: <  &#250;&#231;            > 20 05 FA E7 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218E7FA0520, 320 bytes long.
 Data: <&#176;V&#251;&#231;    &#160; &#251;&#231;    > B0 56 FB E7 18 02 00 00 A0 0B FB E7 18 02 00 00 
{276} normal block at 0x00000218E7FB5890, 16 bytes long.
 Data: <0f&#251;&#231;            > 30 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000218E7FB5B10, 16 bytes long.
 Data: < f&#251;&#231;            > 08 66 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000218E7FB14A0, 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 0x00000218E7FB5A20, 16 bytes long.
 Data: <&#224;e&#251;&#231;            > E0 65 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000218E7FB16E0, 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 0x00000218E7FB6100, 16 bytes long.
 Data: <(e&#251;&#231;            > 28 65 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000218E7FB5B60, 16 bytes long.
 Data: < e&#251;&#231;            > 00 65 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000218E7FB5DE0, 16 bytes long.
 Data: <&#216;d&#251;&#231;            > D8 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000218E7FB5570, 16 bytes long.
 Data: <&#176;d&#251;&#231;            > B0 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000218E7FB5F20, 16 bytes long.
 Data: < d&#251;&#231;            > 88 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000218E7FB59D0, 16 bytes long.
 Data: <`d&#251;&#231;            > 60 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000218E7FB62E0, 16 bytes long.
 Data: <&#240;L&#251;&#231;            > F0 4C FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000218E7FB4CF0, 40 bytes long.
 Data: <&#224;b&#251;&#231;    &#240;|&#203;&#233;    > E0 62 FB E7 18 02 00 00 F0 7C CB E9 18 02 00 00 
{262} normal block at 0x00000218E7FB6010, 16 bytes long.
 Data: <@d&#251;&#231;            > 40 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218E7FB55C0, 16 bytes long.
 Data: < d&#251;&#231;            > 18 64 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000218E7FB0F60, 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 0x00000218E7FB5ED0, 16 bytes long.
 Data: <&#240;c&#251;&#231;            > F0 63 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000218E7FB63F0, 992 bytes long.
 Data: <&#208;^&#251;&#231;    ` &#251;&#231;    > D0 5E FB E7 18 02 00 00 60 0F FB E7 18 02 00 00 
{94} normal block at 0x00000218E7FB1020, 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 0x00000218E7FADA20, 16 bytes long.
 Data: < H&#251;&#231;            > 90 48 FB E7 18 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000218E7FB4890, 40 bytes long.
 Data: < &#218;&#250;&#231;      &#251;&#231;    > 20 DA FA E7 18 02 00 00 20 10 FB E7 18 02 00 00 
{71} normal block at 0x00000218E7FAD250, 16 bytes long.
 Data: < &#234;&#227;&#221;&#247;           > 80 EA E3 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000218E7FAD700, 16 bytes long.
 Data: <@&#233;&#227;&#221;&#247;           > 40 E9 E3 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000218E7FAD480, 16 bytes long.
 Data: <&#248;W&#224;&#221;&#247;           > F8 57 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000218E7FAD160, 16 bytes long.
 Data: <&#216;W&#224;&#221;&#247;           > D8 57 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000218E7FAD200, 16 bytes long.
 Data: <P &#224;&#221;&#247;           > 50 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000218E7FAD1B0, 16 bytes long.
 Data: <0 &#224;&#221;&#247;           > 30 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000218E7FAD9D0, 16 bytes long.
 Data: <&#224; &#224;&#221;&#247;           > E0 02 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000218E7FAD890, 16 bytes long.
 Data: <  &#224;&#221;&#247;           > 10 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000218E7FADBB0, 16 bytes long.
 Data: <p &#224;&#221;&#247;           > 70 04 E0 DD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000218E7FAD430, 16 bytes long.
 Data: < &#192;&#222;&#221;&#247;           > 18 C0 DE DD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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