Task 38676369
| Name | test_70-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0427_0 |
| Workunit | 31618290 |
| Created | 26 Oct 2026, 11:07:02 UTC |
| Sent | 26 Oct 2026, 11:07:07 UTC |
| Report deadline | 31 Oct 2026, 11:07:07 UTC |
| Received | 26 Oct 2026, 12:08:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629688 |
| Run time | 50 min 8 sec |
| CPU time | 48 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,115.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.79 MB |
| Peak swap size | 9.77 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:15:35 (22180): wrapper (7.9.26016): starting
12:15:35 (22180): 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
12:15:36 (22180): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:15:36 (22180): 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\9\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\9\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.
12:39:29 (21116): wrapper (7.9.26016): starting
12:39:29 (21116): 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\9\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
13:08:07 (21116): C:/Windows/system32/cmd.exe exited; CPU time 1695.609375
13:08:07 (21116): 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: 25276450 bytes.
Dumping objects ->
{1864} normal block at 0x000001B5558E9030, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1853} normal block at 0x000001B5558E9570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1842} normal block at 0x000001B5558E9730, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1831} normal block at 0x000001B5558E9110, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1820} normal block at 0x000001B5558E9260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1789} normal block at 0x000001B5558D66B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1778} normal block at 0x000001B5558D2000, 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) : {1775} normal block at 0x000001B5558EA510, 8 bytes long.
Data: < U > 00 00 86 55 B5 01 00 00
{1029} normal block at 0x000001B5558D7270, 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 0x000001B5558EA420, 8 bytes long.
Data: <P U > 50 AE 8E 55 B5 01 00 00
{295} normal block at 0x000001B5558D8070, 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 0x000001B5558E9CF0, 16 bytes long.
Data: <X U > 58 AD 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B5558EA100, 16 bytes long.
Data: <0 U > 30 AD 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B5558E5E10, 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 0x000001B5558EA7E0, 16 bytes long.
Data: < U > 08 AD 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B5558E9CA0, 16 bytes long.
Data: < U > E0 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B5558EA970, 16 bytes long.
Data: < U > B8 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B5558EA8D0, 16 bytes long.
Data: < U > 90 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B5558E9340, 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 0x000001B5558EA880, 16 bytes long.
Data: < q U > 18 71 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B5558E5B70, 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 0x000001B5558EA650, 16 bytes long.
Data: < p U > F0 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B5558EA560, 16 bytes long.
Data: < p U > C8 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B5558EA150, 16 bytes long.
Data: < p U > A0 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B5558E9F20, 16 bytes long.
Data: <xp U > 78 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B5558EA600, 16 bytes long.
Data: <Pp U > 50 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B5558EA290, 16 bytes long.
Data: <(p U > 28 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B5558E5450, 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 0x000001B5558EA3D0, 16 bytes long.
Data: < p U > 00 70 8D 55 B5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B5558D7000, 320 bytes long.
Data: < U PT U > D0 A3 8E 55 B5 01 00 00 50 54 8E 55 B5 01 00 00
{274} normal block at 0x000001B5558EA920, 16 bytes long.
Data: <p U > 70 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B5558EA790, 16 bytes long.
Data: <H U > 48 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B5558E52D0, 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 0x000001B5558EA9C0, 16 bytes long.
Data: < U > 20 AC 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B5558E5270, 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 0x000001B5558E9A70, 16 bytes long.
Data: <h U > 68 AB 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B5558E9C50, 16 bytes long.
Data: <@ U > 40 AB 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B5558EA740, 16 bytes long.
Data: < U > 18 AB 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B5558EA6A0, 16 bytes long.
Data: < U > F0 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B5558EA830, 16 bytes long.
Data: < U > C8 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B5558EA6F0, 16 bytes long.
Data: < U > A0 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B5558EA4C0, 16 bytes long.
Data: < U > F0 91 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B5558E91F0, 40 bytes long.
Data: < U f U > C0 A4 8E 55 B5 01 00 00 B0 66 8D 55 B5 01 00 00
{260} normal block at 0x000001B5558EA380, 16 bytes long.
Data: < U > 80 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B5558E9E80, 16 bytes long.
Data: <X U > 58 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B5558E5B10, 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 0x000001B5558EA470, 16 bytes long.
Data: <0 U > 30 AA 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B5558EAA30, 992 bytes long.
Data: <p U [ U > 70 A4 8E 55 B5 01 00 00 10 5B 8E 55 B5 01 00 00
{92} normal block at 0x000001B5558E5C90, 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 0x000001B5558E2890, 16 bytes long.
Data: < U > C0 96 8E 55 B5 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B5558E96C0, 40 bytes long.
Data: < ( U \ U > 90 28 8E 55 B5 01 00 00 90 5C 8E 55 B5 01 00 00
{69} normal block at 0x000001B5558E2020, 16 bytes long.
Data: < P > 80 EA B3 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B5558E22F0, 16 bytes long.
Data: <@ P > 40 E9 B3 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B5558E26B0, 16 bytes long.
Data: < W P > F8 57 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B5558E2520, 16 bytes long.
Data: < W P > D8 57 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B5558E1E90, 16 bytes long.
Data: <P P > 50 04 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B5558E1FD0, 16 bytes long.
Data: <0 P > 30 04 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B5558E1F30, 16 bytes long.
Data: < P > E0 02 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B5558E2610, 16 bytes long.
Data: < P > 10 04 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B5558E1D00, 16 bytes long.
Data: <p P > 70 04 B0 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B5558E25C0, 16 bytes long.
Data: < P > 18 C0 AE 50 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra