Task 38686341
| Name | test_887-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6111_0 |
| Workunit | 31627776 |
| Created | 28 Oct 2026, 2:02:35 UTC |
| Sent | 28 Oct 2026, 2:02:41 UTC |
| Report deadline | 2 Nov 2026, 2:02:41 UTC |
| Received | 28 Oct 2026, 4:35:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645421 |
| Run time | 2 hours 32 min 31 sec |
| CPU time | 2 hours 28 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,390.04 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.28 MB |
| Peak swap size | 5.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:02:13 (18092): wrapper (7.9.26016): starting
19:02:13 (18092): 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
19:02:14 (18092): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:02:14 (18092): 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\12\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\12\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
21:33:26 (18092): C:/Windows/system32/cmd.exe exited; CPU time 8924.828125
21:33:26 (18092): 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: 164477517 bytes.
Dumping objects ->
{3835203} normal block at 0x0000025FBD6DC8F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000025FBBA24830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835181} normal block at 0x0000025FBBA24590, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835170} normal block at 0x0000025FBBA247C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x0000025FBBA24A60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835128} normal block at 0x0000025FBD7294B0, 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) : {3835115} normal block at 0x0000025FBBA1FB10, 8 bytes long.
Data: < ê»_ > 00 00 EA BB 5F 02 00 00
{3833963} normal block at 0x0000025FBBA200B0, 8 bytes long.
Data: < 6x½_ > 80 36 78 BD 5F 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025FBBA206C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025FBBA16A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000025FBBA25A10, 16 bytes long.
Data: <(S¢»_ > 28 53 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025FBBA25970, 16 bytes long.
Data: < S¢»_ > 00 53 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025FBBA1EF00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000025FBBA25600, 16 bytes long.
Data: <ØR¢»_ > D8 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025FBBA25B50, 16 bytes long.
Data: <°R¢»_ > B0 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025FBBA25510, 16 bytes long.
Data: < R¢»_ > 88 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025FBBA25920, 16 bytes long.
Data: <`R¢»_ > 60 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025FBBA24520, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000025FBBA25C40, 16 bytes long.
Data: <8Ž¡»_ > 38 8E A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025FBBA1EEA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000025FBBA25830, 16 bytes long.
Data: < Ž¡»_ > 10 8E A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025FBBA26230, 16 bytes long.
Data: <è ¡»_ > E8 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025FBBA25560, 16 bytes long.
Data: <À ¡»_ > C0 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025FBBA260A0, 16 bytes long.
Data: < ¡»_ > 98 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025FBBA25790, 16 bytes long.
Data: <p ¡»_ > 70 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025FBBA26320, 16 bytes long.
Data: <H ¡»_ > 48 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025FBBA1EB40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000025FBBA259C0, 16 bytes long.
Data: < ¡»_ > 20 8D A1 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025FBBA18D20, 320 bytes long.
Data: <ÀY¢»_ @ë¡»_ > C0 59 A2 BB 5F 02 00 00 40 EB A1 BB 5F 02 00 00
{277} normal block at 0x0000025FBBA257E0, 16 bytes long.
Data: <@R¢»_ > 40 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025FBBA258D0, 16 bytes long.
Data: < R¢»_ > 18 52 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025FBBA1EAE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000025FBBA26000, 16 bytes long.
Data: <ðQ¢»_ > F0 51 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025FBBA1F1A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000025FBBA25D80, 16 bytes long.
Data: <8Q¢»_ > 38 51 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025FBBA25BF0, 16 bytes long.
Data: < Q¢»_ > 10 51 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025FBBA25E20, 16 bytes long.
Data: <èP¢»_ > E8 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025FBBA25880, 16 bytes long.
Data: <ÀP¢»_ > C0 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025FBBA262D0, 16 bytes long.
Data: < P¢»_ > 98 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025FBBA1FA70, 16 bytes long.
Data: <pP¢»_ > 70 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025FBBA1FDE0, 16 bytes long.
Data: < I¢»_ > 10 49 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025FBBA24910, 40 bytes long.
Data: <àý¡»_ °”r½_ > E0 FD A1 BB 5F 02 00 00 B0 94 72 BD 5F 02 00 00
{263} normal block at 0x0000025FBBA1F8E0, 16 bytes long.
Data: <PP¢»_ > 50 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025FBBA1FCF0, 16 bytes long.
Data: <(P¢»_ > 28 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025FBBA1EA80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000025FBBA1FCA0, 16 bytes long.
Data: < P¢»_ > 00 50 A2 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025FBBA25000, 992 bytes long.
Data: < ü¡»_ ê¡»_ > A0 FC A1 BB 5F 02 00 00 80 EA A1 BB 5F 02 00 00
{95} normal block at 0x0000025FBBA1E900, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000025FBBA20330, 16 bytes long.
Data: <°Ò »_ > B0 D2 A0 BB 5F 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000025FBBA0D2B0, 40 bytes long.
Data: <0 ¢»_ é¡»_ > 30 03 A2 BB 5F 02 00 00 00 E9 A1 BB 5F 02 00 00
{72} normal block at 0x0000025FBBA1F4D0, 16 bytes long.
Data: < ê t÷ > 80 EA 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025FBBA1F570, 16 bytes long.
Data: <@é t÷ > 40 E9 12 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025FBBA1FFC0, 16 bytes long.
Data: <øW t÷ > F8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025FBBA20150, 16 bytes long.
Data: <ØW t÷ > D8 57 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025FBBA1FA20, 16 bytes long.
Data: <P t÷ > 50 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025FBBA1F480, 16 bytes long.
Data: <0 t÷ > 30 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025FBBA1F840, 16 bytes long.
Data: <à t÷ > E0 02 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025FBBA20010, 16 bytes long.
Data: < t÷ > 10 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025FBBA1F6B0, 16 bytes long.
Data: <p t÷ > 70 04 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025FBBA1FD40, 16 bytes long.
Data: < À t÷ > 18 C0 0D 74 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra