Task 38687499

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2706_0
Workunit 31628886
Created 28 Oct 2026, 8:09:46 UTC
Sent 28 Oct 2026, 8:09:50 UTC
Report deadline 2 Nov 2026, 8:09:50 UTC
Received 28 Oct 2026, 13:34:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 9 sec
CPU time 1 hours 42 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 645.84 MB
Peak swap size 6.72 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:49:28 (12996): wrapper (7.9.26016): starting
07:49:29 (12996): 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
07:49:31 (12996): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:49:31 (12996): 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
09:34:03 (12996): C:/Windows/system32/cmd.exe exited; CPU time 6120.312500
09:34:03 (12996): 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: 78032541 bytes.
Dumping objects ->
{3835209} normal block at 0x00000201085B5650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000201085B6140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000201085B5C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x00000201085B5F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000201085B5B90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x000002010A0CB120, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x000002010A12CAB0, 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) : {3835120} normal block at 0x0000020108585DA0, 8 bytes long.
 Data: <  U     > 00 00 55 08 01 02 00 00 
{3834523} normal block at 0x000002010A12D2F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000020108585FD0, 8 bytes long.
 Data: <&#208;       > D0 10 05 0A 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020108591110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020108575BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000020108592240, 16 bytes long.
 Data: < 4Y             > 88 34 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020108592CE0, 16 bytes long.
 Data: <`4Y             > 60 34 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002010858C4A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000020108592740, 16 bytes long.
 Data: <84Y             > 38 34 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201085921F0, 16 bytes long.
 Data: < 4Y             > 10 34 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020108592880, 16 bytes long.
 Data: <&#232;3Y             > E8 33 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020108592F60, 16 bytes long.
 Data: <&#192;3Y             > C0 33 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002010858A890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020108592FB0, 16 bytes long.
 Data: < [W             > 88 5B 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002010858C260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000020108592790, 16 bytes long.
 Data: <`[W             > 60 5B 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020108592C90, 16 bytes long.
 Data: <8[W             > 38 5B 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020108592F10, 16 bytes long.
 Data: < [W             > 10 5B 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020108592BA0, 16 bytes long.
 Data: <&#232;ZW             > E8 5A 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020108592EC0, 16 bytes long.
 Data: <&#192;ZW             > C0 5A 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020108592920, 16 bytes long.
 Data: < ZW             > 98 5A 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002010858BC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000020108593050, 16 bytes long.
 Data: <pZW             > 70 5A 57 08 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020108575A70, 320 bytes long.
 Data: <P0Y      &#188;X     > 50 30 59 08 01 02 00 00 00 BC 58 08 01 02 00 00 
{268} normal block at 0x0000020108592A10, 16 bytes long.
 Data: <&#160;3Y             > A0 33 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000201085926F0, 16 bytes long.
 Data: <x3Y             > 78 33 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002010858BC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000020108592E70, 16 bytes long.
 Data: <P3Y             > 50 33 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002010858BFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020108592420, 16 bytes long.
 Data: < 2Y             > 98 32 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000201085930F0, 16 bytes long.
 Data: <p2Y             > 70 32 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000201085926A0, 16 bytes long.
 Data: <H2Y             > 48 32 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020108592B50, 16 bytes long.
 Data: < 2Y             > 20 32 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020108592B00, 16 bytes long.
 Data: <&#248;1Y             > F8 31 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020108592D30, 16 bytes long.
 Data: <&#208;1Y             > D0 31 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000201085929C0, 16 bytes long.
 Data: < &#162;X             > 00 A2 58 08 01 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002010858A200, 40 bytes long.
 Data: <&#192;)Y      &#177;      > C0 29 59 08 01 02 00 00 20 B1 0C 0A 01 02 00 00 
{254} normal block at 0x0000020108592D80, 16 bytes long.
 Data: <&#176;1Y             > B0 31 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000201085930A0, 16 bytes long.
 Data: < 1Y             > 88 31 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002010858BB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020108592650, 16 bytes long.
 Data: <`1Y             > 60 31 59 08 01 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020108593160, 992 bytes long.
 Data: <P&Y     @&#187;X     > 50 26 59 08 01 02 00 00 40 BB 58 08 01 02 00 00 
{86} normal block at 0x000002010858C020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020108586070, 16 bytes long.
 Data: <&#208;&#166;X             > D0 A6 58 08 01 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002010858A6D0, 40 bytes long.
 Data: <p`X      &#192;X     > 70 60 58 08 01 02 00 00 20 C0 58 08 01 02 00 00 
{63} normal block at 0x00000201085857B0, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020108585A30, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020108585D50, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020108585CB0, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020108585760, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000201085862A0, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000201085858A0, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020108585710, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020108585E40, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020108585D00, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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