Task 38673705

Name test_886-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND8701_0
Workunit 31615770
Created 26 Oct 2026, 3:12:10 UTC
Sent 26 Oct 2026, 3:12:16 UTC
Report deadline 31 Oct 2026, 3:12:16 UTC
Received 26 Oct 2026, 7:13:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 3 sec
CPU time 15 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 807.77 MB
Peak swap size 10.09 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:53:48 (8248): wrapper (7.9.26016): starting
07:53:48 (8248): 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
07:53:49 (8248): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:53:49 (8248): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
08:13:09 (8248): C:/Windows/system32/cmd.exe exited; CPU time 942.875000
08:13:09 (8248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 24602528 bytes.
Dumping objects ->
{3835471} normal block at 0x000002CC242D5D60, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002CC242D5AC0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x000002CC223F6A00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x000002CC223F6990, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000002CC223F6920, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000002CC24276D90, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000002CC2428E930, 85 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) : {3835382} normal block at 0x000002CC223EF170, 8 bytes long.
 Data: <  &#251;#&#204;   > 00 00 FB 23 CC 02 00 00 
{3834663} normal block at 0x000002CC2428DD50, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002CC223EEFE0, 8 bytes long.
 Data: < j0$&#204;   > 80 6A 30 24 CC 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002CC223F3200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002CC223E81F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002CC223F7860, 16 bytes long.
 Data: <&#184; ?"&#204;           > B8 7F 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002CC223F79A0, 16 bytes long.
 Data: <  ?"&#204;           > 90 7F 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002CC223F0D10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002CC223F7270, 16 bytes long.
 Data: <h ?"&#204;           > 68 7F 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002CC223F7720, 16 bytes long.
 Data: <@ ?"&#204;           > 40 7F 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002CC223F6CD0, 16 bytes long.
 Data: <  ?"&#204;           > 18 7F 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002CC223F74A0, 16 bytes long.
 Data: <&#240;~?"&#204;           > F0 7E 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CC223F6AE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002CC223F6EB0, 16 bytes long.
 Data: <  >"&#204;           > 08 08 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CC223F0E30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002CC223F6FA0, 16 bytes long.
 Data: <&#224; >"&#204;           > E0 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CC223F7810, 16 bytes long.
 Data: <&#184; >"&#204;           > B8 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CC223F7B30, 16 bytes long.
 Data: <  >"&#204;           > 90 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CC223F6E60, 16 bytes long.
 Data: <h >"&#204;           > 68 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CC223F7950, 16 bytes long.
 Data: <@ >"&#204;           > 40 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CC223F77C0, 16 bytes long.
 Data: <  >"&#204;           > 18 07 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CC223F11F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002CC223F7130, 16 bytes long.
 Data: <&#240; >"&#204;           > F0 06 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CC223E06F0, 320 bytes long.
 Data: <0q?"&#204;   &#240; ?"&#204;   > 30 71 3F 22 CC 02 00 00 F0 11 3F 22 CC 02 00 00 
{280} normal block at 0x000002CC223F72C0, 16 bytes long.
 Data: <&#208;~?"&#204;           > D0 7E 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CC223F76D0, 16 bytes long.
 Data: <&#168;~?"&#204;           > A8 7E 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CC223F1610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002CC223F78B0, 16 bytes long.
 Data: < ~?"&#204;           > 80 7E 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CC223F13D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002CC223F7310, 16 bytes long.
 Data: <&#200;}?"&#204;           > C8 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CC223F70E0, 16 bytes long.
 Data: <&#160;}?"&#204;           > A0 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CC223F6D20, 16 bytes long.
 Data: <x}?"&#204;           > 78 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CC223F6FF0, 16 bytes long.
 Data: <P}?"&#204;           > 50 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CC223F7680, 16 bytes long.
 Data: <(}?"&#204;           > 28 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CC223F7220, 16 bytes long.
 Data: < }?"&#204;           > 00 7D 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CC223F7590, 16 bytes long.
 Data: <&#240;f?"&#204;           > F0 66 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CC223F66F0, 40 bytes long.
 Data: < u?"&#204;    m'$&#204;   > 90 75 3F 22 CC 02 00 00 90 6D 27 24 CC 02 00 00 
{266} normal block at 0x000002CC223F75E0, 16 bytes long.
 Data: <&#224;|?"&#204;           > E0 7C 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CC223F7540, 16 bytes long.
 Data: <&#184;|?"&#204;           > B8 7C 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CC223F0C50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002CC223F73B0, 16 bytes long.
 Data: < |?"&#204;           > 90 7C 3F 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CC223F7C90, 992 bytes long.
 Data: <&#176;s?"&#204;   P ?"&#204;   > B0 73 3F 22 CC 02 00 00 50 0C 3F 22 CC 02 00 00 
{98} normal block at 0x000002CC223F0BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002CC223EF4E0, 16 bytes long.
 Data: <p >"&#204;           > 70 0D 3E 22 CC 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002CC223E0D70, 40 bytes long.
 Data: <&#224;&#244;>"&#204;   &#240; ?"&#204;   > E0 F4 3E 22 CC 02 00 00 F0 0B 3F 22 CC 02 00 00 
{75} normal block at 0x000002CC223EFD00, 16 bytes long.
 Data: < &#234;j &#246;           > 80 EA 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002CC223EF260, 16 bytes long.
 Data: <@&#233;j &#246;           > 40 E9 6A 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002CC223EFE40, 16 bytes long.
 Data: <&#248;Wg &#246;           > F8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002CC223EF440, 16 bytes long.
 Data: <&#216;Wg &#246;           > D8 57 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002CC223EF850, 16 bytes long.
 Data: <P g &#246;           > 50 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002CC223EFE90, 16 bytes long.
 Data: <0 g &#246;           > 30 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002CC223EFC10, 16 bytes long.
 Data: <&#224; g &#246;           > E0 02 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CC223EF3A0, 16 bytes long.
 Data: <  g &#246;           > 10 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CC223EF530, 16 bytes long.
 Data: <p g &#246;           > 70 04 67 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CC223EFCB0, 16 bytes long.
 Data: < &#192;e &#246;           > 18 C0 65 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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