Task 38685213

Name	test_201-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3663_0
Workunit	31626690
Created	27 Oct 2026, 20:00:47 UTC
Sent	27 Oct 2026, 20:00:51 UTC
Report deadline	1 Nov 2026, 20:00:51 UTC
Received	28 Oct 2026, 15:55:30 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	585156
Run time	32 min 28 sec
CPU time	31 min 27 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	43,943.47 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	697.38 MB
Peak swap size	7.00 GB
Peak disk usage	3.02 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:19:00 (18248): wrapper (7.9.26016): starting
21:19:00 (18248): 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
21:19:01 (18248): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:19:01 (18248): 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\4\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\4\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.
16:27:37 (10156): wrapper (7.9.26016): starting
16:27:37 (10156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\4\tmp" existiert bereits.
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
16:54:23 (10156): C:/Windows/system32/cmd.exe exited; CPU time 1611.015625
16:54:23 (10156): 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: 34571952 bytes.
Dumping objects ->
{1587} normal block at 0x0000023954EF0BA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1576} normal block at 0x0000023954EF0C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1565} normal block at 0x0000023954EF0B30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1554} normal block at 0x0000023954EF0CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1543} normal block at 0x0000023954EF0AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1512} normal block at 0x0000023954EF00D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1501} normal block at 0x0000023954EF0020, 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) : {1498} normal block at 0x0000023954EF48A0, 8 bytes long.
 Data: <   T9   > 00 00 EC 54 39 02 00 00 
{892} normal block at 0x0000023954EDE170, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{308} normal block at 0x0000023954EF5390, 8 bytes long.
 Data: <`Y T9   > 60 59 EF 54 39 02 00 00 
{299} normal block at 0x0000023954EF01D0, 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 0x0000023954EF4FD0, 16 bytes long.
 Data: <hX T9           > 68 58 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023954EF5480, 16 bytes long.
 Data: <@X T9           > 40 58 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023954EE9C10, 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 0x0000023954EF4850, 16 bytes long.
 Data: < X T9           > 18 58 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023954EF5430, 16 bytes long.
 Data: < W T9           > F0 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023954EF53E0, 16 bytes long.
 Data: < W T9           > C8 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023954EF52A0, 16 bytes long.
 Data: < W T9           > A0 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023954EF06D0, 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 0x0000023954EF5340, 16 bytes long.
 Data: < a T9           > D8 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023954EE9C70, 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 0x0000023954EF5250, 16 bytes long.
 Data: < a T9           > B0 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023954EF4F80, 16 bytes long.
 Data: < a T9           > 88 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023954EF4E90, 16 bytes long.
 Data: <`a T9           > 60 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023954EF4800, 16 bytes long.
 Data: <8a T9           > 38 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023954EF4DA0, 16 bytes long.
 Data: < a T9           > 10 61 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023954EF4F30, 16 bytes long.
 Data: < ` T9           > E8 60 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023954EE99D0, 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 0x0000023954EF51B0, 16 bytes long.
 Data: < ` T9           > C0 60 ED 54 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023954ED60C0, 320 bytes long.
 Data: < Q T9      T9   > B0 51 EF 54 39 02 00 00 D0 99 EE 54 39 02 00 00 
{278} normal block at 0x0000023954EF49E0, 16 bytes long.
 Data: < W T9           > 80 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023954EF5160, 16 bytes long.
 Data: <XW T9           > 58 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023954EE9BB0, 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 0x0000023954EF4760, 16 bytes long.
 Data: <0W T9           > 30 57 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023954EE9B50, 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 0x0000023954EF4EE0, 16 bytes long.
 Data: <xV T9           > 78 56 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023954EF52F0, 16 bytes long.
 Data: <PV T9           > 50 56 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023954EF5200, 16 bytes long.
 Data: <(V T9           > 28 56 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023954EF4620, 16 bytes long.
 Data: < V T9           > 00 56 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023954EF4C60, 16 bytes long.
 Data: < U T9           > D8 55 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023954EF4C10, 16 bytes long.
 Data: < U T9           > B0 55 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023954EF4710, 16 bytes long.
 Data: <   T9           > 90 08 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023954EF0890, 40 bytes long.
 Data: < G T9      T9   > 10 47 EF 54 39 02 00 00 D0 00 EF 54 39 02 00 00 
{264} normal block at 0x0000023954EF4A30, 16 bytes long.
 Data: < U T9           > 90 55 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023954EF47B0, 16 bytes long.
 Data: <hU T9           > 68 55 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023954EE95B0, 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 0x0000023954EF4A80, 16 bytes long.
 Data: <@U T9           > 40 55 EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023954EF5540, 992 bytes long.
 Data: < J T9      T9   > 80 4A EF 54 39 02 00 00 B0 95 EE 54 39 02 00 00 
{96} normal block at 0x0000023954EE9A30, 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 0x0000023954EE8850, 16 bytes long.
 Data: <P  T9           > 50 0A EF 54 39 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000023954EF0A50, 40 bytes long.
 Data: <P  T9   0  T9   > 50 88 EE 54 39 02 00 00 30 9A EE 54 39 02 00 00 
{73} normal block at 0x0000023954EE9430, 16 bytes long.
 Data: <  *             > 80 EA 2A 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023954EE90C0, 16 bytes long.
 Data: <@ *             > 40 E9 2A 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023954EE87B0, 16 bytes long.
 Data: < W'             > F8 57 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023954EE8EE0, 16 bytes long.
 Data: < W'             > D8 57 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023954EE9020, 16 bytes long.
 Data: <P '             > 50 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023954EE93E0, 16 bytes long.
 Data: <0 '             > 30 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023954EE8FD0, 16 bytes long.
 Data: <  '             > E0 02 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023954EE9200, 16 bytes long.
 Data: <  '             > 10 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023954EE8E40, 16 bytes long.
 Data: <p '             > 70 04 27 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023954EE9340, 16 bytes long.
 Data: <  %             > 18 C0 25 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>