Task 38689689

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8481_0
Workunit 31630922
Created 28 Oct 2026, 22:54:09 UTC
Sent 28 Oct 2026, 22:54:14 UTC
Report deadline 2 Nov 2026, 22:54:14 UTC
Received 28 Oct 2026, 23:56:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559474
Run time 34 min 15 sec
CPU time 31 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.92 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:31 (28568): wrapper (7.9.26016): starting
16:23:31 (28568): 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
16:23:33 (28568): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:33 (28568): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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
16:55:54 (28568): C:/Windows/system32/cmd.exe exited; CPU time 1891.453125
16:55:54 (28568): 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: 39032711 bytes.
Dumping objects ->
{3835207} normal block at 0x00000260EBE61640, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000260EBE60F40, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000260EBE61170, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x00000260EBE615D0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x00000260EBE61410, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x00000260EBF9CB10, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x00000260EA338230, 8 bytes long.
 Data: <  .&#234;`   > 00 00 2E EA 60 02 00 00 
{3833955} normal block at 0x00000260EA337A60, 8 bytes long.
 Data: <&#208;&#130;&#255;&#235;`   > D0 82 FF EB 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000260EA341470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000260EA3423B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000260EA3430E0, 16 bytes long.
 Data: <&#168;K4&#234;`           > A8 4B 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000260EA342F50, 16 bytes long.
 Data: < K4&#234;`           > 80 4B 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000260EA33E4E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000260EA3426E0, 16 bytes long.
 Data: <XK4&#234;`           > 58 4B 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000260EA342690, 16 bytes long.
 Data: <0K4&#234;`           > 30 4B 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000260EA342F00, 16 bytes long.
 Data: < K4&#234;`           > 08 4B 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000260EA3425A0, 16 bytes long.
 Data: <&#224;J4&#234;`           > E0 4A 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000260EA33C320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000260EA342EB0, 16 bytes long.
 Data: <H#4&#234;`           > 48 23 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000260EA33DFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000260EA343270, 16 bytes long.
 Data: < #4&#234;`           > 20 23 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000260EA342550, 16 bytes long.
 Data: <&#248;"4&#234;`           > F8 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000260EA3431D0, 16 bytes long.
 Data: <&#208;"4&#234;`           > D0 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000260EA342C80, 16 bytes long.
 Data: <&#168;"4&#234;`           > A8 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000260EA3428C0, 16 bytes long.
 Data: < "4&#234;`           > 80 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000260EA342E60, 16 bytes long.
 Data: <X"4&#234;`           > 58 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000260EA33E540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000260EA342C30, 16 bytes long.
 Data: <0"4&#234;`           > 30 22 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000260EA342230, 320 bytes long.
 Data: <0,4&#234;`   @&#229;3&#234;`   > 30 2C 34 EA 60 02 00 00 40 E5 33 EA 60 02 00 00 
{273} normal block at 0x00000260EA343090, 16 bytes long.
 Data: <&#192;J4&#234;`           > C0 4A 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000260EA343040, 16 bytes long.
 Data: < J4&#234;`           > 98 4A 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000260EA33E7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000260EA343180, 16 bytes long.
 Data: <pJ4&#234;`           > 70 4A 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000260EA33E000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000260EA343220, 16 bytes long.
 Data: <&#184;I4&#234;`           > B8 49 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000260EA342A50, 16 bytes long.
 Data: < I4&#234;`           > 90 49 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000260EA3429B0, 16 bytes long.
 Data: <hI4&#234;`           > 68 49 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000260EA342640, 16 bytes long.
 Data: <@I4&#234;`           > 40 49 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000260EA342DC0, 16 bytes long.
 Data: < I4&#234;`           > 18 49 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000260EA343360, 16 bytes long.
 Data: <&#240;H4&#234;`           > F0 48 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000260EA342E10, 16 bytes long.
 Data: <&#176;&#194;3&#234;`           > B0 C2 33 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000260EA33C2B0, 40 bytes long.
 Data: < .4&#234;`    &#203;&#249;&#235;`   > 10 2E 34 EA 60 02 00 00 10 CB F9 EB 60 02 00 00 
{259} normal block at 0x00000260EA343310, 16 bytes long.
 Data: <&#208;H4&#234;`           > D0 48 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000260EA342BE0, 16 bytes long.
 Data: <&#168;H4&#234;`           > A8 48 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000260EA33DBE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000260EA3425F0, 16 bytes long.
 Data: < H4&#234;`           > 80 48 34 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000260EA344880, 992 bytes long.
 Data: <&#240;%4&#234;`   &#224;&#219;3&#234;`   > F0 25 34 EA 60 02 00 00 E0 DB 33 EA 60 02 00 00 
{91} normal block at 0x00000260EA33E360, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000260EA337B00, 16 bytes long.
 Data: <P&#197;3&#234;`           > 50 C5 33 EA 60 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000260EA33C550, 40 bytes long.
 Data: < {3&#234;`   `&#227;3&#234;`   > 00 7B 33 EA 60 02 00 00 60 E3 33 EA 60 02 00 00 
{68} normal block at 0x00000260EA337970, 16 bytes long.
 Data: < &#234;&#234;C&#247;           > 80 EA EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000260EA3377E0, 16 bytes long.
 Data: <@&#233;&#234;C&#247;           > 40 E9 EA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000260EA338190, 16 bytes long.
 Data: <&#248;W&#231;C&#247;           > F8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000260EA337EC0, 16 bytes long.
 Data: <&#216;W&#231;C&#247;           > D8 57 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000260EA3373D0, 16 bytes long.
 Data: <P &#231;C&#247;           > 50 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000260EA337E20, 16 bytes long.
 Data: <0 &#231;C&#247;           > 30 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000260EA337790, 16 bytes long.
 Data: <&#224; &#231;C&#247;           > E0 02 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000260EA3380A0, 16 bytes long.
 Data: <  &#231;C&#247;           > 10 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000260EA3381E0, 16 bytes long.
 Data: <p &#231;C&#247;           > 70 04 E7 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000260EA338140, 16 bytes long.
 Data: < &#192;&#229;C&#247;           > 18 C0 E5 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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