Task 38681554
| Name | test_485-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4607_0 |
| Workunit | 31623215 |
| Created | 27 Oct 2026, 4:25:47 UTC |
| Sent | 27 Oct 2026, 4:25:57 UTC |
| Report deadline | 1 Nov 2026, 4:25:57 UTC |
| Received | 27 Oct 2026, 22:21:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 464557 |
| Run time | 26 min 46 sec |
| CPU time | 25 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 10,072.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 654.47 MB |
| Peak swap size | 3.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:39:52 (14196): wrapper (7.9.26016): starting
05:39:52 (14196): 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
05:39:53 (14196): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:39:53 (14196): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835152} normal block at 0x000001EF367D88A0, 8 bytes long.
Data: < {6 > 00 00 7B 36 EF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001EF383ECD80, 1080 bytes long.
Data: <`% ( > 60 25 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EF367E2FE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:03:45 (3288): wrapper (7.9.26016): starting
23:03:45 (3288): 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:\BOINC\ProgramData\slots\2\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
23:20:39 (3288): C:/Windows/system32/cmd.exe exited; CPU time 1002.671875
23:20:39 (3288): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 12144944 bytes.
Dumping objects ->
{1591} normal block at 0x0000019D7CABDE00, 48 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1580} normal block at 0x0000019D7CABDD90, 48 bytes long.
Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1569} normal block at 0x0000019D7CABDE70, 48 bytes long.
Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F
{1558} normal block at 0x0000019D7CABDC40, 48 bytes long.
Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1547} normal block at 0x0000019D7CABE1F0, 48 bytes long.
Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C
{1516} normal block at 0x0000019D7CABD740, 64 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{1505} normal block at 0x0000019D7CAAB950, 160 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) : {1502} normal block at 0x0000019D7CAC2A50, 8 bytes long.
Data: < | > 00 00 A6 7C 9D 01 00 00
{898} normal block at 0x0000019D7CAC2620, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x0000019D7CAC35E0, 8 bytes long.
Data: <0B | > 30 42 AC 7C 9D 01 00 00
{292} normal block at 0x0000019D7CAA6300, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000019D7CAC3310, 16 bytes long.
Data: <8A | > 38 41 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019D7CAC3810, 16 bytes long.
Data: < A | > 10 41 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019D7CABBE10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000019D7CAC36D0, 16 bytes long.
Data: < @ | > E8 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019D7CAC32C0, 16 bytes long.
Data: < @ | > C0 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019D7CAC3860, 16 bytes long.
Data: < @ | > 98 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019D7CAC3270, 16 bytes long.
Data: <p@ | > 70 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019D7CABE180, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000019D7CAC3680, 16 bytes long.
Data: < b | > 98 62 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019D7CABC0B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000019D7CAC3090, 16 bytes long.
Data: <pb | > 70 62 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019D7CAC2C30, 16 bytes long.
Data: <Hb | > 48 62 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019D7CAC37C0, 16 bytes long.
Data: < b | > 20 62 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019D7CAC3400, 16 bytes long.
Data: < a | > F8 61 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019D7CAC3130, 16 bytes long.
Data: < a | > D0 61 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019D7CAC2CD0, 16 bytes long.
Data: < a | > A8 61 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019D7CABBE70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000019D7CAC3360, 16 bytes long.
Data: < a | > 80 61 AA 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019D7CAA6180, 320 bytes long.
Data: <`3 | p | > 60 33 AC 7C 9D 01 00 00 70 BE AB 7C 9D 01 00 00
{271} normal block at 0x0000019D7CAC3220, 16 bytes long.
Data: <P@ | > 50 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019D7CAC3040, 16 bytes long.
Data: <(@ | > 28 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019D7CABC350, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000019D7CAC34F0, 16 bytes long.
Data: < @ | > 00 40 AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019D7CABC7D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000019D7CAC2BE0, 16 bytes long.
Data: <H? | > 48 3F AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019D7CAC2FA0, 16 bytes long.
Data: < ? | > 20 3F AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019D7CAC2B90, 16 bytes long.
Data: < > | > F8 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019D7CAC31D0, 16 bytes long.
Data: < > | > D0 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019D7CAC2F50, 16 bytes long.
Data: < > | > A8 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019D7CAC2F00, 16 bytes long.
Data: < > | > 80 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019D7CAC3180, 16 bytes long.
Data: < | > A0 E0 AB 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019D7CABE0A0, 40 bytes long.
Data: < 1 | @ | > 80 31 AC 7C 9D 01 00 00 40 D7 AB 7C 9D 01 00 00
{257} normal block at 0x0000019D7CAC2B40, 16 bytes long.
Data: <`> | > 60 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019D7CAC2AF0, 16 bytes long.
Data: <8> | > 38 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019D7CABBC30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000019D7CAC2FF0, 16 bytes long.
Data: < > | > 10 3E AC 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019D7CAC3E10, 992 bytes long.
Data: < / | 0 | > F0 2F AC 7C 9D 01 00 00 30 BC AB 7C 9D 01 00 00
{89} normal block at 0x0000019D7CABBBD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000019D7CAB6F30, 16 bytes long.
Data: < | > 20 DD AB 7C 9D 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000019D7CABDD20, 40 bytes long.
Data: <0o | | > 30 6F AB 7C 9D 01 00 00 D0 BB AB 7C 9D 01 00 00
{66} normal block at 0x0000019D7CAB7610, 16 bytes long.
Data: < ! > 80 EA 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019D7CAB7480, 16 bytes long.
Data: <@ ! > 40 E9 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019D7CAB7390, 16 bytes long.
Data: < W ! > F8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019D7CAB7AC0, 16 bytes long.
Data: < W ! > D8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019D7CAB7660, 16 bytes long.
Data: <P ! > 50 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019D7CAB75C0, 16 bytes long.
Data: <0 ! > 30 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019D7CAB7980, 16 bytes long.
Data: < ! > E0 02 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019D7CAB7340, 16 bytes long.
Data: < ! > 10 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019D7CAB6E90, 16 bytes long.
Data: <p ! > 70 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000019D7CAB7A20, 16 bytes long.
Data: < ! > 18 C0 02 21 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra