Task 38667600

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND5816_0
Workunit 31610210
Created 25 Oct 2026, 8:38:01 UTC
Sent 25 Oct 2026, 8:38:11 UTC
Report deadline 30 Oct 2026, 8:38:11 UTC
Received 25 Oct 2026, 10:16:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640581
Run time 29 min 21 sec
CPU time 28 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 770.54 MB
Peak swap size 13.03 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:46:09 (12304): wrapper (7.9.26016): starting
10:46:09 (12304): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
10:46:10 (12304): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:46:10 (12304): 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\11\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\11\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:15:11 (12304): C:/Windows/system32/cmd.exe exited; CPU time 1683.843750
11:15:11 (12304): 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: 26931925 bytes.
Dumping objects ->
{3835259} normal block at 0x0000027D0F5EBF60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000027D0F5EBCC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000027D0F5EC580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835226} normal block at 0x0000027D0F5EBB00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000027D0F5C4A80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835184} normal block at 0x0000027D114649A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000027D1147EBE0, 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) : {3835170} normal block at 0x0000027D0F5BF0D0, 8 bytes long.
 Data: <  &#171; }   > 00 00 AB 0F 7D 02 00 00 
{3834557} normal block at 0x0000027D1147E710, 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 0x0000027D0F5BF490, 8 bytes long.
 Data: <&#176;&#227;7 }   > B0 E3 37 11 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027D0F5C1690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027D0F5B6560, 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 0x0000027D0F5C5720, 16 bytes long.
 Data: <(h\ }           > 28 68 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027D0F5C6260, 16 bytes long.
 Data: < h\ }           > 00 68 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027D0F5C01E0, 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 0x0000027D0F5C5E00, 16 bytes long.
 Data: <&#216;g\ }           > D8 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027D0F5C5DB0, 16 bytes long.
 Data: <&#176;g\ }           > B0 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027D0F5C5AE0, 16 bytes long.
 Data: < g\ }           > 88 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027D0F5C5770, 16 bytes long.
 Data: <`g\ }           > 60 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027D0F5C4D20, 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 0x0000027D0F5C5D10, 16 bytes long.
 Data: <&#232;&#231;[ }           > E8 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027D0F5C0360, 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 0x0000027D0F5C5C20, 16 bytes long.
 Data: <&#192;&#231;[ }           > C0 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027D0F5C56D0, 16 bytes long.
 Data: < &#231;[ }           > 98 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027D0F5C63F0, 16 bytes long.
 Data: <p&#231;[ }           > 70 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027D0F5C6350, 16 bytes long.
 Data: <H&#231;[ }           > 48 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027D0F5C5A40, 16 bytes long.
 Data: < &#231;[ }           > 20 E7 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027D0F5C59F0, 16 bytes long.
 Data: <&#248;&#230;[ }           > F8 E6 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027D0F5BFCA0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000027D0F5C6120, 16 bytes long.
 Data: <&#208;&#230;[ }           > D0 E6 5B 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027D0F5BE6D0, 320 bytes long.
 Data: < a\ }   &#160;&#252;[ }   > 20 61 5C 0F 7D 02 00 00 A0 FC 5B 0F 7D 02 00 00 
{276} normal block at 0x0000027D0F5C5B80, 16 bytes long.
 Data: <@g\ }           > 40 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027D0F5C6210, 16 bytes long.
 Data: < g\ }           > 18 67 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027D0F5C04E0, 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 0x0000027D0F5C5860, 16 bytes long.
 Data: <&#240;f\ }           > F0 66 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027D0F5BFE80, 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 0x0000027D0F5C5680, 16 bytes long.
 Data: <8f\ }           > 38 66 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027D0F5C5B30, 16 bytes long.
 Data: < f\ }           > 10 66 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027D0F5C5D60, 16 bytes long.
 Data: <&#232;e\ }           > E8 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027D0F5C59A0, 16 bytes long.
 Data: <&#192;e\ }           > C0 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027D0F5C5CC0, 16 bytes long.
 Data: < e\ }           > 98 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027D0F5C6030, 16 bytes long.
 Data: <pe\ }           > 70 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027D0F5C5630, 16 bytes long.
 Data: <`K\ }           > 60 4B 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027D0F5C4B60, 40 bytes long.
 Data: <0V\ }   &#160;IF }   > 30 56 5C 0F 7D 02 00 00 A0 49 46 11 7D 02 00 00 
{262} normal block at 0x0000027D0F5C5900, 16 bytes long.
 Data: <Pe\ }           > 50 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027D0F5C5A90, 16 bytes long.
 Data: <(e\ }           > 28 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027D0F5C0600, 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 0x0000027D0F5C5BD0, 16 bytes long.
 Data: < e\ }           > 00 65 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027D0F5C6500, 992 bytes long.
 Data: <&#208;[\ }     \ }   > D0 5B 5C 0F 7D 02 00 00 00 06 5C 0F 7D 02 00 00 
{94} normal block at 0x0000027D0F5C0660, 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 0x0000027D0F5BF440, 16 bytes long.
 Data: <&#240;J\ }           > F0 4A 5C 0F 7D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027D0F5C4AF0, 40 bytes long.
 Data: <@&#244;[ }   ` \ }   > 40 F4 5B 0F 7D 02 00 00 60 06 5C 0F 7D 02 00 00 
{71} normal block at 0x0000027D0F5BEEF0, 16 bytes long.
 Data: < &#234;ML&#247;           > 80 EA 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027D0F5BF620, 16 bytes long.
 Data: <@&#233;ML&#247;           > 40 E9 4D 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027D0F5BF5D0, 16 bytes long.
 Data: <&#248;WJL&#247;           > F8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027D0F5BF530, 16 bytes long.
 Data: <&#216;WJL&#247;           > D8 57 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027D0F5BF940, 16 bytes long.
 Data: <P JL&#247;           > 50 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027D0F5BF8F0, 16 bytes long.
 Data: <0 JL&#247;           > 30 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027D0F5BF580, 16 bytes long.
 Data: <&#224; JL&#247;           > E0 02 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027D0F5BF170, 16 bytes long.
 Data: <  JL&#247;           > 10 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027D0F5BE9F0, 16 bytes long.
 Data: <p JL&#247;           > 70 04 4A 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027D0F5BEB80, 16 bytes long.
 Data: < &#192;HL&#247;           > 18 C0 48 4C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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