Task 38663779
| Name | test_702-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5484_0 |
| Workunit | 31606972 |
| Created | 24 Oct 2026, 22:40:20 UTC |
| Sent | 24 Oct 2026, 22:40:27 UTC |
| Report deadline | 29 Oct 2026, 22:40:27 UTC |
| Received | 25 Oct 2026, 1:32:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654379 |
| Run time | 33 min 8 sec |
| CPU time | 33 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.93 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:59:07 (22356): wrapper (7.9.26016): starting
17:59:07 (22356): 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
17:59:09 (22356): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:59:09 (22356): 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\18\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\18\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.
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
18:31:24 (22356): C:/Windows/system32/cmd.exe exited; CPU time 1980.031250
18:31:24 (22356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 53091691 bytes.
Dumping objects ->
{3835262} normal block at 0x0000024925C45650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000024925C46220, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000024925C46290, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x0000024925C45F10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000024925C45B90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x0000024925C4DCE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x0000024923F3D6B0, 8 bytes long.
Data: < Y$I > 00 00 59 24 49 02 00 00
{3833969} normal block at 0x0000024923F3DB10, 8 bytes long.
Data: <ðHÒ%I > F0 48 D2 25 49 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024923F423A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000024923F36D30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000024923F45C80, 16 bytes long.
Data: < oô#I > 18 6F F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024923F46360, 16 bytes long.
Data: <ðnô#I > F0 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024923F40430, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000024923F46860, 16 bytes long.
Data: <Ènô#I > C8 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024923F46130, 16 bytes long.
Data: < nô#I > A0 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024923F460E0, 16 bytes long.
Data: <xnô#I > 78 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024923F45E10, 16 bytes long.
Data: <Pnô#I > 50 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024923F440C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000024923F46590, 16 bytes long.
Data: < îò#I > 18 EE F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024923F40130, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000024923F46B80, 16 bytes long.
Data: <ðíò#I > F0 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024923F46090, 16 bytes long.
Data: <Èíò#I > C8 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024923F46040, 16 bytes long.
Data: < íò#I > A0 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024923F46310, 16 bytes long.
Data: <xíò#I > 78 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024923F45FF0, 16 bytes long.
Data: <Píò#I > 50 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024923F46270, 16 bytes long.
Data: <(íò#I > 28 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024923F400D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000024923F45E60, 16 bytes long.
Data: < íò#I > 00 ED F2 23 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024923F2ED00, 320 bytes long.
Data: <`^ô#I Ð ô#I > 60 5E F4 23 49 02 00 00 D0 00 F4 23 49 02 00 00
{280} normal block at 0x0000024923F464F0, 16 bytes long.
Data: <0nô#I > 30 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024923F46680, 16 bytes long.
Data: < nô#I > 08 6E F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024923F3FEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000024923F46950, 16 bytes long.
Data: <àmô#I > E0 6D F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024923F40370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000024923F46900, 16 bytes long.
Data: <(mô#I > 28 6D F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024923F46720, 16 bytes long.
Data: < mô#I > 00 6D F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024923F46630, 16 bytes long.
Data: <Ølô#I > D8 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024923F462C0, 16 bytes long.
Data: <°lô#I > B0 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024923F46180, 16 bytes long.
Data: < lô#I > 88 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024923F45FA0, 16 bytes long.
Data: <`lô#I > 60 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024923F468B0, 16 bytes long.
Data: <@Dô#I > 40 44 F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024923F44440, 40 bytes long.
Data: <°hô#I àÜÄ%I > B0 68 F4 23 49 02 00 00 E0 DC C4 25 49 02 00 00
{266} normal block at 0x0000024923F45F00, 16 bytes long.
Data: <@lô#I > 40 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024923F45CD0, 16 bytes long.
Data: < lô#I > 18 6C F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024923F3FA70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000024923F45F50, 16 bytes long.
Data: <ðkô#I > F0 6B F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024923F46BF0, 992 bytes long.
Data: <P_ô#I púó#I > 50 5F F4 23 49 02 00 00 70 FA F3 23 49 02 00 00
{98} normal block at 0x0000024923F40190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000024923F3D660, 16 bytes long.
Data: <à?ô#I > E0 3F F4 23 49 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000024923F43FE0, 40 bytes long.
Data: <`Öó#I ô#I > 60 D6 F3 23 49 02 00 00 90 01 F4 23 49 02 00 00
{75} normal block at 0x0000024923F3D930, 16 bytes long.
Data: < ê¨e÷ > 80 EA A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000024923F3D8E0, 16 bytes long.
Data: <@é¨e÷ > 40 E9 A8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024923F3DC50, 16 bytes long.
Data: <øW¥e÷ > F8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024923F3D890, 16 bytes long.
Data: <ØW¥e÷ > D8 57 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024923F3DC00, 16 bytes long.
Data: <P ¥e÷ > 50 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024923F3E100, 16 bytes long.
Data: <0 ¥e÷ > 30 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024923F3D7F0, 16 bytes long.
Data: <à ¥e÷ > E0 02 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024923F3DE80, 16 bytes long.
Data: < ¥e÷ > 10 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024923F3E010, 16 bytes long.
Data: <p ¥e÷ > 70 04 A5 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024923F3DF70, 16 bytes long.
Data: < À£e÷ > 18 C0 A3 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra