Task 38582214

Name HIF2A_A26_A07_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND5936_0
Workunit 31546559
Created 12 Dec 2025, 23:27:53 UTC
Sent 12 Dec 2025, 23:28:02 UTC
Report deadline 17 Dec 2025, 23:28:02 UTC
Received 13 Dec 2025, 7:44:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607869
Run time 8 hours 14 min 21 sec
CPU time 8 hours 14 min 3 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 5,308.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 460.45 MB
Peak swap size 9.46 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:32:33 (32576): wrapper (7.9.26016): starting
20:32:33 (32576): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A07_0.pdb
QB_A26_A07_0.xml
QB_A26_A07_equil.pdb
QB_A26_A07.inpcrd
QB_A26_A07_input.yaml
QB_A26_A07_mdlambda.pdb
QB_A26_A07_min.pdb
QB_A26_A07_npt.pdb
QB_A26_A07.pdb
QB_A26_A07.prmtop
QB_A26_A07_sys.xml
QB_A26_A07_therm.pdb
run.bat
run.sh
20:32:34 (32576): Library/usr/bin/tar.exe exited; CPU time 0.046875
20:32:34 (32576): 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\24\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\24\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
04:45:18 (32576): C:/Windows/system32/cmd.exe exited; CPU time 29643.703125
04:45:18 (32576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 831217445 bytes.
Dumping objects ->
{3835392} normal block at 0x0000021BA38B9BD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x0000021BA38B91C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835370} normal block at 0x0000021BA38B9930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835359} normal block at 0x0000021BA38B9150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x0000021BA38B98C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835317} normal block at 0x0000021BA38DD740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835304} normal block at 0x0000021BA38AC6F0, 8 bytes long.
 Data: <  9&#165;    > 00 00 39 A5 1B 02 00 00 
{3834039} normal block at 0x0000021BA38AC510, 8 bytes long.
 Data: < &#229; &#163;    > 20 E5 98 A3 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {351} normal block at 0x0000021BA38A2870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{336} normal block at 0x0000021BA38A3DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{335} normal block at 0x0000021BA38BA470, 16 bytes long.
 Data: <H_&#139;&#163;            > 48 5F 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x0000021BA38BA380, 16 bytes long.
 Data: < _&#139;&#163;            > 20 5F 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{333} normal block at 0x0000021BA38B7A00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{332} normal block at 0x0000021BA38BA330, 16 bytes long.
 Data: <&#248;^&#139;&#163;            > F8 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x0000021BA38BADD0, 16 bytes long.
 Data: <&#208;^&#139;&#163;            > D0 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{330} normal block at 0x0000021BA38BAFB0, 16 bytes long.
 Data: <&#168;^&#139;&#163;            > A8 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x0000021BA38BAAB0, 16 bytes long.
 Data: < ^&#139;&#163;            > 80 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x0000021BA38B2BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{327} normal block at 0x0000021BA38BA790, 16 bytes long.
 Data: <X &#138;&#163;            > 58 0D 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x0000021BA38B7940, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{325} normal block at 0x0000021BA38BAD80, 16 bytes long.
 Data: <0 &#138;&#163;            > 30 0D 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{323} normal block at 0x0000021BA38BAD30, 16 bytes long.
 Data: <  &#138;&#163;            > 08 0D 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{322} normal block at 0x0000021BA38BA5B0, 16 bytes long.
 Data: <&#224; &#138;&#163;            > E0 0C 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x0000021BA38BA740, 16 bytes long.
 Data: <&#184; &#138;&#163;            > B8 0C 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x0000021BA38BA6F0, 16 bytes long.
 Data: <  &#138;&#163;            > 90 0C 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x0000021BA38BA290, 16 bytes long.
 Data: <h &#138;&#163;            > 68 0C 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x0000021BA38B78E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{317} normal block at 0x0000021BA38BAE20, 16 bytes long.
 Data: <@ &#138;&#163;            > 40 0C 8A A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x0000021BA38A0C40, 320 bytes long.
 Data: < &#174;&#139;&#163;    &#224;x&#139;&#163;    > 20 AE 8B A3 1B 02 00 00 E0 78 8B A3 1B 02 00 00 
{315} normal block at 0x0000021BA38BABF0, 16 bytes long.
 Data: <`^&#139;&#163;            > 60 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x0000021BA38BA150, 16 bytes long.
 Data: <8^&#139;&#163;            > 38 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{313} normal block at 0x0000021BA38B7B80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{312} normal block at 0x0000021BA38BA880, 16 bytes long.
 Data: < ^&#139;&#163;            > 10 5E 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000021BA38B76A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{310} normal block at 0x0000021BA38BABA0, 16 bytes long.
 Data: <X]&#139;&#163;            > 58 5D 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000021BA38BA0B0, 16 bytes long.
 Data: <0]&#139;&#163;            > 30 5D 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000021BA38BAB50, 16 bytes long.
 Data: < ]&#139;&#163;            > 08 5D 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000021BA38BA6A0, 16 bytes long.
 Data: <&#224;\&#139;&#163;            > E0 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000021BA38BAEC0, 16 bytes long.
 Data: <&#184;\&#139;&#163;            > B8 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000021BA38BA9C0, 16 bytes long.
 Data: < \&#139;&#163;            > 90 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000021BA38BA420, 16 bytes long.
 Data: <p2&#139;&#163;            > 70 32 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021BA38B3270, 40 bytes long.
 Data: < &#164;&#139;&#163;    @&#215; &#163;    > 20 A4 8B A3 1B 02 00 00 40 D7 8D A3 1B 02 00 00 
{301} normal block at 0x0000021BA38BAA60, 16 bytes long.
 Data: <p\&#139;&#163;            > 70 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021BA38BA2E0, 16 bytes long.
 Data: <H\&#139;&#163;            > 48 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021BA38B6E60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{298} normal block at 0x0000021BA38BA3D0, 16 bytes long.
 Data: < \&#139;&#163;            > 20 5C 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021BA38B5C20, 992 bytes long.
 Data: <&#208;&#163;&#139;&#163;    `n&#139;&#163;    > D0 A3 8B A3 1B 02 00 00 60 6E 8B A3 1B 02 00 00 
{133} normal block at 0x0000021BA38B73A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{132} normal block at 0x0000021BA38AC290, 16 bytes long.
 Data: <&#176;0&#139;&#163;            > B0 30 8B A3 1B 02 00 00 00 00 00 00 00 00 00 00 
{131} normal block at 0x0000021BA38B30B0, 40 bytes long.
 Data: < &#194;&#138;&#163;    &#160;s&#139;&#163;    > 90 C2 8A A3 1B 02 00 00 A0 73 8B A3 1B 02 00 00 
{110} normal block at 0x0000021BA38AC1F0, 16 bytes long.
 Data: < &#234;&#245;5&#247;           > 80 EA F5 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x0000021BA38ACD80, 16 bytes long.
 Data: <@&#233;&#245;5&#247;           > 40 E9 F5 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{108} normal block at 0x0000021BA38AC380, 16 bytes long.
 Data: <&#248;W&#242;5&#247;           > F8 57 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x0000021BA38ACD30, 16 bytes long.
 Data: <&#216;W&#242;5&#247;           > D8 57 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000021BA38AC650, 16 bytes long.
 Data: <P &#242;5&#247;           > 50 04 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000021BA38AC600, 16 bytes long.
 Data: <0 &#242;5&#247;           > 30 04 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000021BA38ACCE0, 16 bytes long.
 Data: <&#224; &#242;5&#247;           > E0 02 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x0000021BA38ACBF0, 16 bytes long.
 Data: <  &#242;5&#247;           > 10 04 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000021BA38AC830, 16 bytes long.
 Data: <p &#242;5&#247;           > 70 04 F2 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000021BA38AC3D0, 16 bytes long.
 Data: < &#192;&#240;5&#247;           > 18 C0 F0 35 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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