Task 38699479
| Name | test_771-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7870_0 |
| Workunit | 31639877 |
| Created | 4 Nov 2026, 10:42:20 UTC |
| Sent | 4 Nov 2026, 10:42:21 UTC |
| Report deadline | 9 Nov 2026, 10:42:21 UTC |
| Received | 6 Nov 2026, 9:55:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 485535 |
| Run time | 1 hours 1 min 30 sec |
| CPU time | 54 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.69 MB |
| Peak swap size | 2.38 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:55:57 (22256): wrapper (7.9.26016): starting
09:55:57 (22256): 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
09:56:00 (22256): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:56:00 (22256): 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\1\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\1\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
10:54:54 (22256): C:/Windows/system32/cmd.exe exited; CPU time 3286.859375
10:54:54 (22256): 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: 48164643 bytes.
Dumping objects ->
{3835416} normal block at 0x00000209BC471760, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x00000209BC4713E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835394} normal block at 0x00000209BC471610, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835383} normal block at 0x00000209BC470B90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835372} normal block at 0x00000209BC471290, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835341} normal block at 0x00000209BC586BB0, 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) : {3835328} normal block at 0x00000209BA9E9940, 8 bytes long.
Data: < 4¼ > 00 00 34 BC 09 02 00 00
{3833949} normal block at 0x00000209BA9E8AE0, 8 bytes long.
Data: < :^¼ > 90 3A 5E BC 09 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000209BA9F38F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000209BA9DD960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000209BA9F5600, 16 bytes long.
Data: <([ټ > 28 5B 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000209BA9F54C0, 16 bytes long.
Data: < [ټ > 00 5B 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000209BA9EF150, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000209BA9F55B0, 16 bytes long.
Data: <ØZŸº > D8 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000209BA9F4CA0, 16 bytes long.
Data: <°ZŸº > B0 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000209BA9F4F20, 16 bytes long.
Data: < Zټ > 88 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000209BA9F5470, 16 bytes long.
Data: <`Zټ > 60 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000209BA9ED9D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000209BA9F4E80, 16 bytes long.
Data: < 랺 > 18 EB 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000209BA9EF030, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000209BA9F53D0, 16 bytes long.
Data: <ðꞺ > F0 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000209BA9F4840, 16 bytes long.
Data: <ÈꞺ > C8 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000209BA9F4B10, 16 bytes long.
Data: < êžº > A0 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000209BA9F4C50, 16 bytes long.
Data: <xꞺ > 78 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000209BA9F4AC0, 16 bytes long.
Data: <PꞺ > 50 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000209BA9F51F0, 16 bytes long.
Data: <(Ꞻ > 28 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000209BA9EF990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000209BA9F4A20, 16 bytes long.
Data: < Ꞻ > 00 EA 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000209BA9EEA00, 320 bytes long.
Data: < JŸº ùžº > 20 4A 9F BA 09 02 00 00 90 F9 9E BA 09 02 00 00
{270} normal block at 0x00000209BA9F4D40, 16 bytes long.
Data: <@Zټ > 40 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000209BA9F4980, 16 bytes long.
Data: < Zټ > 18 5A 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000209BA9EF9F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000209BA9F4DE0, 16 bytes long.
Data: <ðYŸº > F0 59 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000209BA9EF810, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000209BA9F5380, 16 bytes long.
Data: <8Yټ > 38 59 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000209BA9F5790, 16 bytes long.
Data: < Yټ > 10 59 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000209BA9F56A0, 16 bytes long.
Data: <èXŸº > E8 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000209BA9F5560, 16 bytes long.
Data: <ÀXŸº > C0 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000209BA9F4ED0, 16 bytes long.
Data: < Xټ > 98 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000209BA9F51A0, 16 bytes long.
Data: <pXټ > 70 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000209BA9F5100, 16 bytes long.
Data: <pÜžº > 70 DC 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000209BA9EDC70, 40 bytes long.
Data: < QŸº °kX¼ > 00 51 9F BA 09 02 00 00 B0 6B 58 BC 09 02 00 00
{256} normal block at 0x00000209BA9F50B0, 16 bytes long.
Data: <PXټ > 50 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000209BA9F5330, 16 bytes long.
Data: <(Xټ > 28 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000209BA9EF090, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000209BA9F4930, 16 bytes long.
Data: < Xټ > 00 58 9F BA 09 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000209BA9F5800, 992 bytes long.
Data: <0IŸº 𞺠> 30 49 9F BA 09 02 00 00 90 F0 9E BA 09 02 00 00
{88} normal block at 0x00000209BA9EF6F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000209BA9E9530, 16 bytes long.
Data: <àÜžº > E0 DC 9E BA 09 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000209BA9EDCE0, 40 bytes long.
Data: <0•žº ðöžº > 30 95 9E BA 09 02 00 00 F0 F6 9E BA 09 02 00 00
{65} normal block at 0x00000209BA9E8E50, 16 bytes long.
Data: < êÌP÷ > 80 EA CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000209BA9E8DB0, 16 bytes long.
Data: <@éÌP÷ > 40 E9 CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000209BA9E9350, 16 bytes long.
Data: <øWÉP÷ > F8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000209BA9E8D10, 16 bytes long.
Data: <ØWÉP÷ > D8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000209BA9E9990, 16 bytes long.
Data: <P ÉP÷ > 50 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000209BA9E9170, 16 bytes long.
Data: <0 ÉP÷ > 30 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000209BA9E95D0, 16 bytes long.
Data: <à ÉP÷ > E0 02 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000209BA9E9580, 16 bytes long.
Data: < ÉP÷ > 10 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000209BA9E90D0, 16 bytes long.
Data: <p ÉP÷ > 70 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000209BA9E8E00, 16 bytes long.
Data: < ÀÇP÷ > 18 C0 C7 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra