Task 38662442
| Name | test_649-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5809_0 |
| Workunit | 31605702 |
| Created | 24 Oct 2026, 19:12:03 UTC |
| Sent | 24 Oct 2026, 19:12:34 UTC |
| Report deadline | 29 Oct 2026, 19:12:34 UTC |
| Received | 26 Oct 2026, 7:56:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 38 min 52 sec |
| CPU time | 29 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.96 MB |
| Peak swap size | 3.80 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:44:22 (18624): wrapper (7.9.26016): starting
21:44:22 (18624): 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
21:44:24 (18624): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:44:24 (18624): 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:\BOINC\slots\1\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:\BOINC\slots\1\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.
08:33:24 (7792): wrapper (7.9.26016): starting
08:33:25 (7792): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Sottodirectory o file E:\BOINC\slots\1\tmp gi… esistente.
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
08:56:42 (7792): C:/Windows/system32/cmd.exe exited; CPU time 1016.625000
08:56:42 (7792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 22561038 bytes.
Dumping objects ->
{1871} normal block at 0x0000027A3A3DD410, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1860} normal block at 0x0000027A3A3DB610, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1849} normal block at 0x0000027A3A3DC090, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1838} normal block at 0x0000027A3A3DC330, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{1827} normal block at 0x0000027A3A3DBC10, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{1796} normal block at 0x0000027A3A3DD2C0, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {1782} normal block at 0x0000027A3A3E4EB0, 8 bytes long.
Data: < ;z > 00 00 D1 3B 7A 02 00 00
{303} normal block at 0x0000027A3A3E51D0, 8 bytes long.
Data: <0Y>:z > 30 59 3E 3A 7A 02 00 00
{294} normal block at 0x0000027A3A3C5F40, 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 0x0000027A3A3E5450, 16 bytes long.
Data: <8X>:z > 38 58 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027A3A3E4FA0, 16 bytes long.
Data: < X>:z > 10 58 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027A3A3DB6D0, 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 0x0000027A3A3E4E60, 16 bytes long.
Data: < W>:z > E8 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027A3A3E4640, 16 bytes long.
Data: < W>:z > C0 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027A3A3E4DC0, 16 bytes long.
Data: < W>:z > 98 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027A3A3E4C80, 16 bytes long.
Data: <pW>:z > 70 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027A3A3DD3A0, 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 0x0000027A3A3E4CD0, 16 bytes long.
Data: < ^<:z > D8 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027A3A3DBDF0, 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 0x0000027A3A3E46E0, 16 bytes long.
Data: < ^<:z > B0 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027A3A3E47D0, 16 bytes long.
Data: < ^<:z > 88 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027A3A3E4F00, 16 bytes long.
Data: <`^<:z > 60 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027A3A3E4C30, 16 bytes long.
Data: <8^<:z > 38 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027A3A3E4E10, 16 bytes long.
Data: < ^<:z > 10 5E 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027A3A3E4B90, 16 bytes long.
Data: < ]<:z > E8 5D 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027A3A3DC3F0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{275} normal block at 0x0000027A3A3E52C0, 16 bytes long.
Data: < ]<:z > C0 5D 3C 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027A3A3C5DC0, 320 bytes long.
Data: < R>:z =:z > C0 52 3E 3A 7A 02 00 00 F0 C3 3D 3A 7A 02 00 00
{273} normal block at 0x0000027A3A3E4550, 16 bytes long.
Data: <PW>:z > 50 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027A3A3E4A50, 16 bytes long.
Data: <(W>:z > 28 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027A3A3DBEB0, 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 0x0000027A3A3E5270, 16 bytes long.
Data: < W>:z > 00 57 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027A3A3DBAF0, 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 0x0000027A3A3E53B0, 16 bytes long.
Data: <HV>:z > 48 56 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027A3A3E4A00, 16 bytes long.
Data: < V>:z > 20 56 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027A3A3E45F0, 16 bytes long.
Data: < U>:z > F8 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027A3A3E4960, 16 bytes long.
Data: < U>:z > D0 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027A3A3E5220, 16 bytes long.
Data: < U>:z > A8 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027A3A3E4910, 16 bytes long.
Data: < U>:z > 80 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027A3A3E4870, 16 bytes long.
Data: < =:z > E0 D1 3D 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027A3A3DD1E0, 40 bytes long.
Data: <pH>:z =:z > 70 48 3E 3A 7A 02 00 00 C0 D2 3D 3A 7A 02 00 00
{259} normal block at 0x0000027A3A3E45A0, 16 bytes long.
Data: <`U>:z > 60 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027A3A3E5400, 16 bytes long.
Data: <8U>:z > 38 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027A3A3DB9D0, 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 0x0000027A3A3E4F50, 16 bytes long.
Data: < U>:z > 10 55 3E 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027A3A3E5510, 992 bytes long.
Data: <PO>:z =:z > 50 4F 3E 3A 7A 02 00 00 D0 B9 3D 3A 7A 02 00 00
{91} normal block at 0x0000027A3A3DBA90, 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 0x0000027A3A3D7600, 16 bytes long.
Data: <P =:z > 50 D2 3D 3A 7A 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027A3A3DD250, 40 bytes long.
Data: < v=:z =:z > 00 76 3D 3A 7A 02 00 00 90 BA 3D 3A 7A 02 00 00
{68} normal block at 0x0000027A3A3D6FC0, 16 bytes long.
Data: < j > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027A3A3D67F0, 16 bytes long.
Data: <@ j > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027A3A3D6B10, 16 bytes long.
Data: < Wg > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027A3A3D67A0, 16 bytes long.
Data: < Wg > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027A3A3D6B60, 16 bytes long.
Data: <P g > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027A3A3D6A70, 16 bytes long.
Data: <0 g > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027A3A3D6750, 16 bytes long.
Data: < g > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027A3A3D6A20, 16 bytes long.
Data: < g > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027A3A3D7010, 16 bytes long.
Data: <p g > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027A3A3D7510, 16 bytes long.
Data: < e > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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