Task 38683593

Name test_776-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7159_0
Workunit 31625146
Created 27 Oct 2026, 12:27:40 UTC
Sent 27 Oct 2026, 12:27:41 UTC
Report deadline 1 Nov 2026, 12:27:41 UTC
Received 27 Oct 2026, 14:38:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 43 min 41 sec
CPU time 33 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.67 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:56:02 (5724): wrapper (7.9.26016): starting
08:56:02 (5724): 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
08:56:05 (5724): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:56:05 (5724): 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\0\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\0\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
09:37:49 (5724): C:/Windows/system32/cmd.exe exited; CPU time 2015.406250
09:37:49 (5724): 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: 34112367 bytes.
Dumping objects ->
{3835234} normal block at 0x0000027559D771A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000027557F449F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000027557F44980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000027557F44600, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000027557F44BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000027559D2B480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000027559D3E9E0, 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) : {3835145} normal block at 0x0000027557F3F260, 8 bytes long.
 Data: <  IXu   > 00 00 49 58 75 02 00 00 
{3834542} normal block at 0x0000027559D3E510, 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 0x0000027557F3EC20, 8 bytes long.
 Data: <@>&#219;Yu   > 40 3E DB 59 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027557F40EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027557F2EB10, 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 0x0000027557F45A40, 16 bytes long.
 Data: < d&#244;Wu           > 18 64 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027557F45F90, 16 bytes long.
 Data: <&#240;c&#244;Wu           > F0 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027557F3F5F0, 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 0x0000027557F45F40, 16 bytes long.
 Data: <&#200;c&#244;Wu           > C8 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027557F453B0, 16 bytes long.
 Data: <&#160;c&#244;Wu           > A0 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027557F45450, 16 bytes long.
 Data: <xc&#244;Wu           > 78 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027557F45EF0, 16 bytes long.
 Data: <Pc&#244;Wu           > 50 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027557F44C20, 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 0x0000027557F45C70, 16 bytes long.
 Data: <X &#243;Wu           > 58 8D F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027557F3FB30, 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 0x0000027557F45C20, 16 bytes long.
 Data: <0 &#243;Wu           > 30 8D F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027557F459F0, 16 bytes long.
 Data: <  &#243;Wu           > 08 8D F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027557F452C0, 16 bytes long.
 Data: <&#224;&#140;&#243;Wu           > E0 8C F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027557F45180, 16 bytes long.
 Data: <&#184;&#140;&#243;Wu           > B8 8C F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027557F45BD0, 16 bytes long.
 Data: < &#140;&#243;Wu           > 90 8C F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027557F45540, 16 bytes long.
 Data: <h&#140;&#243;Wu           > 68 8C F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027557F3FA10, 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 0x0000027557F45680, 16 bytes long.
 Data: <@&#140;&#243;Wu           > 40 8C F3 57 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027557F38C40, 320 bytes long.
 Data: < V&#244;Wu    &#250;&#243;Wu   > 80 56 F4 57 75 02 00 00 10 FA F3 57 75 02 00 00 
{276} normal block at 0x0000027557F46030, 16 bytes long.
 Data: <0c&#244;Wu           > 30 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027557F45B80, 16 bytes long.
 Data: < c&#244;Wu           > 08 63 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027557F40010, 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 0x0000027557F45E00, 16 bytes long.
 Data: <&#224;b&#244;Wu           > E0 62 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027557F3F9B0, 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 0x0000027557F45400, 16 bytes long.
 Data: <(b&#244;Wu           > 28 62 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027557F45B30, 16 bytes long.
 Data: < b&#244;Wu           > 00 62 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027557F45130, 16 bytes long.
 Data: <&#216;a&#244;Wu           > D8 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027557F45270, 16 bytes long.
 Data: <&#176;a&#244;Wu           > B0 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027557F46080, 16 bytes long.
 Data: < a&#244;Wu           > 88 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027557F45360, 16 bytes long.
 Data: <`a&#244;Wu           > 60 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027557F45FE0, 16 bytes long.
 Data: <&#160;H&#244;Wu           > A0 48 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027557F448A0, 40 bytes long.
 Data: <&#224;_&#244;Wu    &#180;&#210;Yu   > E0 5F F4 57 75 02 00 00 80 B4 D2 59 75 02 00 00 
{262} normal block at 0x0000027557F451D0, 16 bytes long.
 Data: <@a&#244;Wu           > 40 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027557F45310, 16 bytes long.
 Data: < a&#244;Wu           > 18 61 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027557F3FF50, 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 0x0000027557F45E50, 16 bytes long.
 Data: <&#240;`&#244;Wu           > F0 60 F4 57 75 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027557F460F0, 992 bytes long.
 Data: <P^&#244;Wu   P&#255;&#243;Wu   > 50 5E F4 57 75 02 00 00 50 FF F3 57 75 02 00 00 
{94} normal block at 0x0000027557F3F770, 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 0x0000027557F3ECC0, 16 bytes long.
 Data: <0&#230;&#242;Wu           > 30 E6 F2 57 75 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027557F2E630, 40 bytes long.
 Data: <&#192;&#236;&#243;Wu   p&#247;&#243;Wu   > C0 EC F3 57 75 02 00 00 70 F7 F3 57 75 02 00 00 
{71} normal block at 0x0000027557F3F080, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027557F3E8B0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027557F3F0D0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027557F3EF40, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027557F3F170, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027557F3EEF0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027557F3E5E0, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027557F3F210, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027557F3E860, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027557F3E770, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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