Task 38649908
| Name | test_574-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND8177_0 |
| Workunit | 31594461 |
| Created | 23 Oct 2026, 22:19:37 UTC |
| Sent | 23 Oct 2026, 22:31:16 UTC |
| Report deadline | 28 Oct 2026, 22:31:16 UTC |
| Received | 24 Oct 2026, 11:43:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652341 |
| Run time | 50 min 26 sec |
| CPU time | 34 min 35 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 | 678.16 MB |
| Peak swap size | 2.35 GB |
| Peak disk usage | 3.45 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:44:00 (9276): wrapper (7.9.26016): starting
00:44:00 (9276): 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
00:44:02 (9276): Library/usr/bin/tar.exe exited; CPU time 0.046875
00:44:02 (9276): 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.
13:04:35 (11272): wrapper (7.9.26016): starting
13:04:35 (11272): 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
13:43:13 (11272): C:/Windows/system32/cmd.exe exited; CPU time 1559.531250
13:43:13 (11272): 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: 25852392 bytes.
Dumping objects ->
{1618} normal block at 0x000001A776AA4560, 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 0x000001A776AA4090, 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 0x000001A776AA4100, 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 0x000001A776AA43A0, 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 0x000001A776AA4170, 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 0x000001A776A8DBC0, 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 0x000001A776AA4B30, 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 0x000001A776AA5810, 8 bytes long.
Data: < Px > 00 00 50 78 A7 01 00 00
{909} normal block at 0x000001A776A8DE80, 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 0x000001A776AA5950, 8 bytes long.
Data: <`` v > 60 60 AA 76 A7 01 00 00
{295} normal block at 0x000001A776A95290, 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 0x000001A776AA4F00, 16 bytes long.
Data: <h_ v > 68 5F AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A776AA59F0, 16 bytes long.
Data: <@_ v > 40 5F AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A776A9F5D0, 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 0x000001A776AA58B0, 16 bytes long.
Data: < _ v > 18 5F AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A776AA5220, 16 bytes long.
Data: < ^ v > F0 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A776AA5860, 16 bytes long.
Data: < ^ v > C8 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A776AA57C0, 16 bytes long.
Data: < ^ v > A0 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A776AA44F0, 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 0x000001A776AA51D0, 16 bytes long.
Data: <hI v > 68 49 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A776A9EFD0, 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 0x000001A776AA5770, 16 bytes long.
Data: <@I v > 40 49 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A776AA55E0, 16 bytes long.
Data: < I v > 18 49 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A776AA4CD0, 16 bytes long.
Data: < H v > F0 48 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A776AA5590, 16 bytes long.
Data: < H v > C8 48 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A776AA5040, 16 bytes long.
Data: < H v > A0 48 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A776AA4E10, 16 bytes long.
Data: <xH v > 78 48 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A776A9F6F0, 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 0x000001A776AA5540, 16 bytes long.
Data: <PH v > 50 48 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A776AA4850, 320 bytes long.
Data: <@U v v > 40 55 AA 76 A7 01 00 00 F0 F6 A9 76 A7 01 00 00
{274} normal block at 0x000001A776AA5720, 16 bytes long.
Data: < ^ v > 80 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A776AA4EB0, 16 bytes long.
Data: <X^ v > 58 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A776A9F7B0, 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 0x000001A776AA54F0, 16 bytes long.
Data: <0^ v > 30 5E AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A776A9ED90, 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 0x000001A776AA5B80, 16 bytes long.
Data: <x] v > 78 5D AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A776AA4C80, 16 bytes long.
Data: <P] v > 50 5D AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A776AA56D0, 16 bytes long.
Data: <(] v > 28 5D AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A776AA5BD0, 16 bytes long.
Data: < ] v > 00 5D AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A776AA59A0, 16 bytes long.
Data: < \ v > D8 5C AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A776AA4FA0, 16 bytes long.
Data: < \ v > B0 5C AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A776AA4DC0, 16 bytes long.
Data: < G v > 90 47 AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A776AA4790, 40 bytes long.
Data: < M v v > C0 4D AA 76 A7 01 00 00 C0 DB A8 76 A7 01 00 00
{260} normal block at 0x000001A776AA4D70, 16 bytes long.
Data: < \ v > 90 5C AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A776AA4E60, 16 bytes long.
Data: <h\ v > 68 5C AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A776A9F8D0, 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 0x000001A776AA54A0, 16 bytes long.
Data: <@\ v > 40 5C AA 76 A7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A776AA5C40, 992 bytes long.
Data: < T v v > A0 54 AA 76 A7 01 00 00 D0 F8 A9 76 A7 01 00 00
{92} normal block at 0x000001A776A9FB10, 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 0x000001A776A9EAD0, 16 bytes long.
Data: <P v > 50 DB A8 76 A7 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001A776A8DB50, 40 bytes long.
Data: < v v > D0 EA A9 76 A7 01 00 00 10 FB A9 76 A7 01 00 00
{69} normal block at 0x000001A776A9E3F0, 16 bytes long.
Data: < > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A776A9EC10, 16 bytes long.
Data: <@ > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A776A9DD10, 16 bytes long.
Data: < W > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A776A9E9E0, 16 bytes long.
Data: < W > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A776A9E8A0, 16 bytes long.
Data: <P > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A776A9E620, 16 bytes long.
Data: <0 > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A776A9E030, 16 bytes long.
Data: < > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A776A9E8F0, 16 bytes long.
Data: < > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A776A9E710, 16 bytes long.
Data: <p > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A776A9DDB0, 16 bytes long.
Data: < > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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