Task 38682586

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7219_0
Workunit 31624190
Created 27 Oct 2026, 8:18:04 UTC
Sent 27 Oct 2026, 8:18:08 UTC
Report deadline 1 Nov 2026, 8:18:08 UTC
Received 27 Oct 2026, 10:41:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 2 hours 9 min 43 sec
CPU time 2 hours 5 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.01 MB
Peak swap size 8.39 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:34:46 (18700): wrapper (7.9.26016): starting
03:34:46 (18700): 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
03:34:47 (18700): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:34:47 (18700): 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
05:41:27 (18700): C:/Windows/system32/cmd.exe exited; CPU time 7518.968750
05:41:27 (18700): 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: 135481791 bytes.
Dumping objects ->
{3835438} normal block at 0x000001B379E9D7E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000001B378255710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x000001B3782556A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x000001B3782555C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x000001B378255160, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x000001B379EE5DC0, 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) : {3835350} normal block at 0x000001B378250900, 8 bytes long.
 Data: <  ~x&#179;   > 00 00 7E 78 B3 01 00 00 
{3833965} normal block at 0x000001B3782508B0, 8 bytes long.
 Data: < Y&#247;y&#179;   > 10 59 F7 79 B3 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B378246530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B3782483E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001B378255F50, 16 bytes long.
 Data: <&#232;q%x&#179;           > E8 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B3782569F0, 16 bytes long.
 Data: <&#192;q%x&#179;           > C0 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B37824F330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001B3782566D0, 16 bytes long.
 Data: < q%x&#179;           > 98 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B378256860, 16 bytes long.
 Data: <pq%x&#179;           > 70 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B3782561D0, 16 bytes long.
 Data: <Hq%x&#179;           > 48 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B378256AE0, 16 bytes long.
 Data: < q%x&#179;           > 20 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B3782551D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001B378256310, 16 bytes long.
 Data: <  %x&#179;           > 98 03 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B37824F750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001B378256C20, 16 bytes long.
 Data: <p %x&#179;           > 70 03 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B378256B80, 16 bytes long.
 Data: <H %x&#179;           > 48 03 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B378256680, 16 bytes long.
 Data: <  %x&#179;           > 20 03 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B378255FA0, 16 bytes long.
 Data: <&#248; %x&#179;           > F8 02 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B378256590, 16 bytes long.
 Data: <&#208; %x&#179;           > D0 02 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B3782565E0, 16 bytes long.
 Data: <&#168; %x&#179;           > A8 02 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B37824EB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001B378256720, 16 bytes long.
 Data: <  %x&#179;           > 80 02 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B378250280, 320 bytes long.
 Data: < g%x&#179;   P&#235;$x&#179;   > 20 67 25 78 B3 01 00 00 50 EB 24 78 B3 01 00 00 
{278} normal block at 0x000001B3782564F0, 16 bytes long.
 Data: < q%x&#179;           > 00 71 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B3782569A0, 16 bytes long.
 Data: <&#216;p%x&#179;           > D8 70 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B37824ECD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001B378256540, 16 bytes long.
 Data: <&#176;p%x&#179;           > B0 70 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B37824F4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001B3782562C0, 16 bytes long.
 Data: <&#248;o%x&#179;           > F8 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B378256C70, 16 bytes long.
 Data: <&#208;o%x&#179;           > D0 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B378256B30, 16 bytes long.
 Data: <&#168;o%x&#179;           > A8 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B378256E00, 16 bytes long.
 Data: < o%x&#179;           > 80 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B378256810, 16 bytes long.
 Data: <Xo%x&#179;           > 58 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B378256400, 16 bytes long.
 Data: <0o%x&#179;           > 30 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B378256270, 16 bytes long.
 Data: < T%x&#179;           > 00 54 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B378255400, 40 bytes long.
 Data: <pb%x&#179;   &#192;]&#238;y&#179;   > 70 62 25 78 B3 01 00 00 C0 5D EE 79 B3 01 00 00 
{264} normal block at 0x000001B3782563B0, 16 bytes long.
 Data: < o%x&#179;           > 10 6F 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B378255F00, 16 bytes long.
 Data: <&#232;n%x&#179;           > E8 6E 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B37824F270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001B378256950, 16 bytes long.
 Data: <&#192;n%x&#179;           > C0 6E 25 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B378256EC0, 992 bytes long.
 Data: <Pi%x&#179;   p&#242;$x&#179;   > 50 69 25 78 B3 01 00 00 70 F2 24 78 B3 01 00 00 
{96} normal block at 0x000001B37824F090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001B378251030, 16 bytes long.
 Data: <p&#207;#x&#179;           > 70 CF 23 78 B3 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001B37823CF70, 40 bytes long.
 Data: <0 %x&#179;    &#240;$x&#179;   > 30 10 25 78 B3 01 00 00 90 F0 24 78 B3 01 00 00 
{73} normal block at 0x000001B3782509F0, 16 bytes long.
 Data: < &#234;o@&#247;           > 80 EA 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B3782514E0, 16 bytes long.
 Data: <@&#233;o@&#247;           > 40 E9 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B378251530, 16 bytes long.
 Data: <&#248;Wl@&#247;           > F8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B378250FE0, 16 bytes long.
 Data: <&#216;Wl@&#247;           > D8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B378250D10, 16 bytes long.
 Data: <P l@&#247;           > 50 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B378250D60, 16 bytes long.
 Data: <0 l@&#247;           > 30 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B378250F40, 16 bytes long.
 Data: <&#224; l@&#247;           > E0 02 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B378250860, 16 bytes long.
 Data: <  l@&#247;           > 10 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B3782511C0, 16 bytes long.
 Data: <p l@&#247;           > 70 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B378250950, 16 bytes long.
 Data: < &#192;j@&#247;           > 18 C0 6A 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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