Task 38678613
| Name | test_370-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8974_0 |
| Workunit | 31620426 |
| Created | 26 Oct 2026, 17:57:52 UTC |
| Sent | 26 Oct 2026, 17:58:00 UTC |
| Report deadline | 31 Oct 2026, 17:58:00 UTC |
| Received | 26 Oct 2026, 18:49:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652341 |
| Run time | 46 min 15 sec |
| CPU time | 36 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 664.90 MB |
| Peak swap size | 2.36 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:00:20 (4008): wrapper (7.9.26016): starting
19:00:20 (4008): 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
19:00:23 (4008): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:00:23 (4008): 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\0\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\0\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.
19:03:11 (10316): wrapper (7.9.26016): starting
19:03:11 (10316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\Boinc\slots\0\tmp.
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
19:49:24 (10316): C:/Windows/system32/cmd.exe exited; CPU time 2205.109375
19:49:24 (10316): 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: 29544968 bytes.
Dumping objects ->
{1618} normal block at 0x00000198C6D941E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1607} normal block at 0x00000198C6D94170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1596} normal block at 0x00000198C6D94330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1585} normal block at 0x00000198C6D944F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1574} normal block at 0x00000198C6D94100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1543} normal block at 0x00000198C6D7B4B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1532} normal block at 0x00000198C6D7E480, 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) : {1529} normal block at 0x00000198C6D94DA0, 8 bytes long.
Data: < > 00 00 18 C7 98 01 00 00
{909} normal block at 0x00000198C6D7D1F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000198C6D94DF0, 8 bytes long.
Data: < ] > C0 5D D9 C6 98 01 00 00
{295} normal block at 0x00000198C6D85230, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000198C6D952F0, 16 bytes long.
Data: < \ > C8 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000198C6D94D50, 16 bytes long.
Data: < \ > A0 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000198C6D8F390, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000198C6D94AD0, 16 bytes long.
Data: <x\ > 78 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000198C6D94C60, 16 bytes long.
Data: <P\ > 50 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000198C6D94C10, 16 bytes long.
Data: <(\ > 28 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000198C6D95340, 16 bytes long.
Data: < \ > 00 5C D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000198C6D94410, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000198C6D94B20, 16 bytes long.
Data: <H > 48 B4 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000198C6D8F2D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000198C6D94A80, 16 bytes long.
Data: < > 20 B4 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000198C6D95750, 16 bytes long.
Data: < > F8 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000198C6D95390, 16 bytes long.
Data: < > D0 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000198C6D94D00, 16 bytes long.
Data: < > A8 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000198C6D956B0, 16 bytes long.
Data: < > 80 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000198C6D953E0, 16 bytes long.
Data: <X > 58 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000198C6D8EE50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000198C6D95660, 16 bytes long.
Data: <0 > 30 B3 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000198C6D7B330, 320 bytes long.
Data: <`V P > 60 56 D9 C6 98 01 00 00 50 EE D8 C6 98 01 00 00
{274} normal block at 0x00000198C6D95070, 16 bytes long.
Data: < [ > E0 5B D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000198C6D955C0, 16 bytes long.
Data: < [ > B8 5B D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000198C6D8F3F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000198C6D95250, 16 bytes long.
Data: < [ > 90 5B D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000198C6D8F270, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000198C6D95930, 16 bytes long.
Data: < Z > D8 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000198C6D952A0, 16 bytes long.
Data: < Z > B0 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000198C6D95110, 16 bytes long.
Data: < Z > 88 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000198C6D949E0, 16 bytes long.
Data: <`Z > 60 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000198C6D94CB0, 16 bytes long.
Data: <8Z > 38 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000198C6D95610, 16 bytes long.
Data: < Z > 10 5A D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000198C6D95480, 16 bytes long.
Data: < F > B0 46 D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000198C6D946B0, 40 bytes long.
Data: < T > 80 54 D9 C6 98 01 00 00 B0 B4 D7 C6 98 01 00 00
{260} normal block at 0x00000198C6D95570, 16 bytes long.
Data: < Y > F0 59 D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000198C6D94E40, 16 bytes long.
Data: < Y > C8 59 D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000198C6D8F1B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000198C6D94BC0, 16 bytes long.
Data: < Y > A0 59 D9 C6 98 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000198C6D959A0, 992 bytes long.
Data: < K > C0 4B D9 C6 98 01 00 00 B0 F1 D8 C6 98 01 00 00
{92} normal block at 0x00000198C6D8F4B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000198C6D8DFD0, 16 bytes long.
Data: < > 10 E4 D7 C6 98 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000198C6D7E410, 40 bytes long.
Data: < > D0 DF D8 C6 98 01 00 00 B0 F4 D8 C6 98 01 00 00
{69} normal block at 0x00000198C6D8E750, 16 bytes long.
Data: < U< > 80 EA 55 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000198C6D8EAC0, 16 bytes long.
Data: <@ U< > 40 E9 55 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000198C6D8E4D0, 16 bytes long.
Data: < WR< > F8 57 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000198C6D8E890, 16 bytes long.
Data: < WR< > D8 57 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000198C6D8E840, 16 bytes long.
Data: <P R< > 50 04 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000198C6D8DC60, 16 bytes long.
Data: <0 R< > 30 04 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000198C6D8DD00, 16 bytes long.
Data: < R< > E0 02 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000198C6D8E2A0, 16 bytes long.
Data: < R< > 10 04 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000198C6D8E1B0, 16 bytes long.
Data: <p R< > 70 04 52 3C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000198C6D8E700, 16 bytes long.
Data: < P< > 18 C0 50 3C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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