Task 38668580
| Name | test_375-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8953_0 |
| Workunit | 31611067 |
| Created | 25 Oct 2026, 12:10:22 UTC |
| Sent | 25 Oct 2026, 12:10:26 UTC |
| Report deadline | 30 Oct 2026, 12:10:26 UTC |
| Received | 25 Oct 2026, 14:09:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632067 |
| Run time | 1 hours 58 min 2 sec |
| CPU time | 1 hours 49 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,333.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.34 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:14:09 (13576): wrapper (7.9.26016): starting
07:14:09 (13576): 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
07:14:10 (13576): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:14:10 (13576): 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\0\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\0\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
09:08:58 (13576): C:/Windows/system32/cmd.exe exited; CPU time 6592.562500
09:08:58 (13576): 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: 124850201 bytes.
Dumping objects ->
{3835438} normal block at 0x00000266FEA7ABC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835427} normal block at 0x00000266FEA556A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835416} normal block at 0x00000266FEA555C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835405} normal block at 0x00000266FEA554E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835394} normal block at 0x00000266FEA55010, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835363} normal block at 0x00000266FF4799C0, 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) : {3835350} normal block at 0x00000266FEA509F0, 8 bytes long.
Data: < þf > 00 00 9D FE 66 02 00 00
{3833965} normal block at 0x00000266FEA506D0, 8 bytes long.
Data: <@ZPÿf > 40 5A 50 FF 66 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000266FEA467B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000266FEA482C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000266FEA561C0, 16 bytes long.
Data: < o¥þf > 08 6F A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000266FEA55C70, 16 bytes long.
Data: <àn¥þf > E0 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000266FEA4F090, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000266FEA55F90, 16 bytes long.
Data: <¸n¥þf > B8 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000266FEA567B0, 16 bytes long.
Data: < n¥þf > 90 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000266FEA560D0, 16 bytes long.
Data: <hn¥þf > 68 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000266FEA56710, 16 bytes long.
Data: <@n¥þf > 40 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000266FEA55320, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000266FEA55F40, 16 bytes long.
Data: < ½£þf > 98 BD A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000266FEA4EBB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000266FEA56800, 16 bytes long.
Data: <p½£þf > 70 BD A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000266FEA56850, 16 bytes long.
Data: <H½£þf > 48 BD A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000266FEA55EA0, 16 bytes long.
Data: < ½£þf > 20 BD A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000266FEA56760, 16 bytes long.
Data: <ø¼£þf > F8 BC A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000266FEA568A0, 16 bytes long.
Data: <м£þf > D0 BC A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000266FEA55EF0, 16 bytes long.
Data: <¨¼£þf > A8 BC A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000266FEA4EFD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000266FEA55C20, 16 bytes long.
Data: < ¼£þf > 80 BC A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000266FEA3BC80, 320 bytes long.
Data: < \¥þf Ðï¤þf > 20 5C A5 FE 66 02 00 00 D0 EF A4 FE 66 02 00 00
{278} normal block at 0x00000266FEA565D0, 16 bytes long.
Data: < n¥þf > 20 6E A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000266FEA56170, 16 bytes long.
Data: <øm¥þf > F8 6D A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000266FEA4EF70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000266FEA55D10, 16 bytes long.
Data: <Ðm¥þf > D0 6D A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000266FEA4EB50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000266FEA56B20, 16 bytes long.
Data: < m¥þf > 18 6D A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000266FEA566C0, 16 bytes long.
Data: <ðl¥þf > F0 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000266FEA56210, 16 bytes long.
Data: <Èl¥þf > C8 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000266FEA564E0, 16 bytes long.
Data: < l¥þf > A0 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000266FEA55E50, 16 bytes long.
Data: <xl¥þf > 78 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000266FEA56990, 16 bytes long.
Data: <Pl¥þf > 50 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000266FEA55CC0, 16 bytes long.
Data: < P¥þf > 80 50 A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000266FEA55080, 40 bytes long.
Data: <À\¥þf À Gÿf > C0 5C A5 FE 66 02 00 00 C0 99 47 FF 66 02 00 00
{264} normal block at 0x00000266FEA56AD0, 16 bytes long.
Data: <0l¥þf > 30 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000266FEA56670, 16 bytes long.
Data: < l¥þf > 08 6C A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000266FEA4EF10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000266FEA56490, 16 bytes long.
Data: <àk¥þf > E0 6B A5 FE 66 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000266FEA56BE0, 992 bytes long.
Data: < d¥þf ï¤þf > 90 64 A5 FE 66 02 00 00 10 EF A4 FE 66 02 00 00
{96} normal block at 0x00000266FEA4EAF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000266FEA50BD0, 16 bytes long.
Data: < Ê£þf > 10 CA A3 FE 66 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000266FEA3CA10, 40 bytes long.
Data: <Ð ¥þf ðê¤þf > D0 0B A5 FE 66 02 00 00 F0 EA A4 FE 66 02 00 00
{73} normal block at 0x00000266FEA50950, 16 bytes long.
Data: < ê# ö > 80 EA 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000266FEA50900, 16 bytes long.
Data: <@é# ö > 40 E9 23 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000266FEA50E50, 16 bytes long.
Data: <øW ö > F8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000266FEA51350, 16 bytes long.
Data: <ØW ö > D8 57 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000266FEA50810, 16 bytes long.
Data: <P ö > 50 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000266FEA50E00, 16 bytes long.
Data: <0 ö > 30 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000266FEA50D60, 16 bytes long.
Data: <à ö > E0 02 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000266FEA50A90, 16 bytes long.
Data: < ö > 10 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000266FEA50F40, 16 bytes long.
Data: <p ö > 70 04 20 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000266FEA50720, 16 bytes long.
Data: < À ö > 18 C0 1E 18 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra