Full Regression: serial — 2026-08-15T00-14-10Z_11fc96ddec

Configuration: 1 process · compared with the other configurations at this commit

869

Tests

406

Passed

124

Failed

Errors

Timeouts

242

Skipped

5 test(s) hit the time limit of the test harness (240 s limit) and are counted apart from the errors: whether they expire depends on the limit in force and on the load of the machine.

title	Full Regression Test / Serial
sha	11fc96ddec86ce041c3aeafa5c8ac17ff3ac05cd
branch	preview
version	patch_4Jul2026-1253-g11fc96ddec
generated	2026-08-15T00:14:10Z
source_url	https://download.lammps.org/coverage/serial.json
operating_system	OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.4-204.fc44.x86_64 x86_64
git_info	Git info (preview / patch_4Jul2026-1253-g11fc96ddec)
compiler	Compiler: Clang C++ Clang 22.1.8 (Fedora 22.1.8-4.fc44) with OpenMP 5.1
compile_flags	-DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG
config_file	config_serial.yaml
lmp_binary	/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-08-14T10-58-53Z_8db723da93

+1 new failures · 2 fixed · 3 new tests vs previous run

New failures (1)

rerun/in.first

Fixed (2)

PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule
python/in.pair_python_coulomb

New tests (3)

PACKAGES/qmmm-xtb/in.qmmm-xtb
PACKAGES/qmmm-xtb/in.qmmm-xtb-minimize
PACKAGES/qmmm-xtb/in.qmmm-xtb-triclinic

Needs a fix in the examples tree (135)

Problems with the input scripts rather than with the code. These stay until somebody edits the example, and they are reported independently of the verdict, so a test that passes can carry one.

production sized run (47)

ASPHERE/tri/in.tri.srd
the run needs 118 s: a production sized run that should be shortened in the repository
ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov
the run needs 78 s: a production sized run that should be shortened in the repository
ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov
the run needs 85 s: a production sized run that should be shortened in the repository
KAPPA/in.ehex
the run needs 124 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
KAPPA/in.heat
the run needs 133 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
KAPPA/in.heatflux
the run needs 185 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
KAPPA/in.langevin
the run needs 134 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
KAPPA/in.mp
the run needs 159 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
PACKAGES/apip/in.surface.balance
the run needs 75 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/apip/in.surface.la.cons.balance
the run needs 98 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/basal/in.basal
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
PACKAGES/cgspica/peg-verlet/in.pegc12e8
the run needs 64 s: a production sized run that should be shortened in the repository
PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle
the run needs 63 s: a production sized run that should be shortened in the repository
PACKAGES/diffraction/in.BulkNi
the run needs 157 s: a production sized run that should be shortened in the repository
PACKAGES/dpd-meso/edpd/in.edpd
the run needs 62 s: a production sized run that should be shortened in the repository
PACKAGES/dpd-meso/edpd/in.edpd-region
the run needs 62 s: a production sized run that should be shortened in the repository
PACKAGES/dpd-meso/mdpd/in.mdpd
the run needs 78 s: a production sized run that should be shortened in the repository
PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve
the run needs 69 s: a production sized run that should be shortened in the repository
PACKAGES/eff/H_plasma/in.h2bulk.nve.ang
the run needs 64 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 ...
PACKAGES/electrode/au-aq/in.ffield
the run needs 144 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/au-aq/in.tf
the run needs 145 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/piston/in.piston
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
PACKAGES/filter_corotate/in.peptide
the run needs 86 s: a production sized run that should be shortened in the repository
PACKAGES/ilves/in.covid
the run needs 96 s: a production sized run that should be shortened in the repository
PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN
the run needs 62 s: a production sized run that should be shortened in the repository
PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn
the run needs 64 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/confined_colloid/in.confined_colloids
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/dragforce/in.dragtest
the run needs 233 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/pit_geometry/in.pits
the run needs 161 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/toycar/in.toycar
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
PACKAGES/mbx/na+_slab/in.na+_slab
the run needs 204 s: a production sized run that should be shortened in the repository
PACKAGES/meam_spline/in.meam-spline.TiO2
the run needs 67 s: a production sized run that should be shortened in the repository
PACKAGES/orient_eco/in.orient_eco
the run needs 115 s: a production sized run that should be shortened in the repository
PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst
the run needs 78 s: a production sized run that should be shortened in the repository
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 203 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, . ...
PACKAGES/smtbq/in.smtbq.TiO2
the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
bpm/metamaterial/in.bpm.metamaterial
the run needs 85 s: a production sized run that should be shortened in the repository
bpm/plasticity/in.bpm.plasticity
the run needs 127 s: a production sized run that should be shortened in the repository
granregion/in.granregion.funnel
the run needs 98 s: a production sized run that should be shortened in the repository
gransurf/in.screwfeeder.local
the run needs 72 s: a production sized run that should be shortened in the repository
granular/in.pour.heat
the run needs 76 s: a production sized run that should be shortened in the repository
mc/in.gcmc.h2o
the run needs 108 s: a production sized run that should be shortened in the repository
mesh/in.marble_race
the run needs 95 s: a production sized run that should be shortened in the repository
rdf-adf/in.spce
the run needs 69 s: a production sized run that should be shortened in the repository
rheo/ice-cubes/in.rheo.ice.cubes
the run needs 188 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 202 s: a production sized run that should be shortened in the repository
streitz/in.streitz.wolf
the run needs 75 s: a production sized run that should be shortened in the repository

reference log file matches no input (92)

DIFFUSE/in.msd.2d
no reference log file matches this input, while log.msd.2d.smoke.1, log.vacf.2d.smoke.1 in this folder match no input script at all: check the names
DIFFUSE/in.vacf.2d
no reference log file matches this input, while log.msd.2d.smoke.1, log.vacf.2d.smoke.1 in this folder match no input script at all: check the names
PACKAGES/apip/in.surface.balance
the run needs 75 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/apip/in.surface.la.cons
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/apip/in.surface.la.cons.balance
the run needs 98 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/apip/in.vacancy.dynamic.lambda
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/dielectric/in.confined
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
PACKAGES/dielectric/in.nopbc
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/2d-diffusion/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/equipartition-verification/in.lammps
no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
PACKAGES/eff/H/in.h_atom.spe.ang
no reference log file matches this input, while log.h_atom.spe.ang.1, log.h_atom.spe.ang.2, log.h_atom.spe.ang.4, ... in this folder match no input script at all: check the names
PACKAGES/eff/H/in.h_atom.spe.bohr
no reference log file matches this input, while log.h_atom.spe.ang.1, log.h_atom.spe.ang.2, log.h_atom.spe.ang.4, ... in this folder match no input script at all: check the names
PACKAGES/eff/H_plasma/in.h2bulk.npt
no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 in this folder match no input script at all: check the names
PACKAGES/eff/H_plasma/in.h2bulk.nve
no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 in this folder match no input script at all: check the names
PACKAGES/eff/H_plasma/in.h2bulk.nve.ang
the run needs 64 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 ...
PACKAGES/eff/Li-solid/in.Li.ang
no reference log file matches this input, while log.Li.ang.smoke.1 in this folder match no input script at all: check the names
PACKAGES/eff/Li-solid/in.Li.bohr
no reference log file matches this input, while log.Li.ang.smoke.1 in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang
no reference log file matches this input, while log.C2H6fc.ang.smoke.1, log.C2H6fc.bohr.smoke.1 in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr
no reference log file matches this input, while log.C2H6fc.ang.smoke.1, log.C2H6fc.bohr.smoke.1 in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr
no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
PACKAGES/electrode/graph-il/in.conp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq2
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.etypes
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ffield
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ramp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.thermo
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/madelung/in.cg
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/fep/CC-CO/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CC-CO/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp
no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp
no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp
no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp
no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/ta/in.spce.lmp
no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1_long
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
no reference log file matches this input, while log.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
... and 42 more

Worth investigating (67)

A classical MD trajectory is chaotic, so a difference that appears late says nothing about the code, while one that is there in the first thermo output cannot be rounding. Inputs that cannot match their reference log file are listed above instead.

Differs before the trajectory can diverge (22)

PACKAGES/charge_regulation/in.chreg-polymer
differs in the very first thermo output
PACKAGES/electrode/madelung/in.ewald-ew2d
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
differs in the very first thermo output
PACKAGES/rhok/in.pinning
differs in the very first thermo output
QUANTUM/PySCF/in.mixture.mm
differs in the very first thermo output
SPIN/cobalt_hcp/in.spin.cobalt_hcp
differs in the very first thermo output
SPIN/dipole_spin/in.spin.iron_dipole_ewald
differs in the very first thermo output
SPIN/dipole_spin/in.spin.iron_dipole_pppm
differs in the very first thermo output
SPIN/iron/in.spin.iron
differs in the very first thermo output
SPIN/iron/in.spin.iron_cubic
differs in the very first thermo output
VISCOSITY/in.cos.1000SPCE
differs in the very first thermo output
amoeba/in.water_dimer.amoeba
differs in the very first thermo output
amoeba/in.water_dimer.hippo
differs in the very first thermo output
amoeba/in.water_hexamer.amoeba
differs in the very first thermo output
amoeba/in.water_hexamer.hippo
differs in the very first thermo output
deposit/in.deposit.atom
differs in the very first thermo output
mc/in.widom.spce
differs in the very first thermo output
streitz/in.streitz.ewald
differs in the very first thermo output
template/in.hybrid
differs in the very first thermo output

Differs within the first 200 steps (45)

PACKAGES/baoab/in.baoab_lj
differs from step 200 on (output row 13)
PACKAGES/charge_regulation/in.chreg-acid
differs from step 100 on (output row 1)
PACKAGES/charge_regulation/in.chreg-acid-real
differs from step 100 on (output row 1)
PACKAGES/dpd-basic/dpd/in.dpd
differs from step 100 on (output row 1)
PACKAGES/drude/butane/in.butane.lang
differs from step 100 on (output row 2)
PACKAGES/drude/butane/in.butane.nh
differs from step 150 on (output row 3)
PACKAGES/drude/butane/in.butane.tgnh
differs from step 150 on (output row 3)
PACKAGES/drude/ethanol/in.ethanol.lang
differs from step 60 on (output row 3)
PACKAGES/drude/ethanol/in.ethanol.nh
differs from step 60 on (output row 3)
PACKAGES/drude/ethanol/in.ethanol.tgnh
differs from step 60 on (output row 3)
PACKAGES/drude/ethylene_glycol/in.ethylene_glycol
differs from step 50 on (output row 1)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang
differs from step 20 on (output row 1)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh
differs from step 20 on (output row 1)
PACKAGES/drude/toluene/in.toluene.lang
differs from step 50 on (output row 1)
PACKAGES/drude/toluene/in.toluene.nh
differs from step 50 on (output row 1)
PACKAGES/extep/in.extep-bn
differs from step 20 on (output row 2)
PACKAGES/grem/lj-single/in.gREM-npt
differs from step 10 on (output row 1)
PACKAGES/interlayer/drip/in.CH_drip
differs from step 40 on (output row 4)
PACKAGES/interlayer/ilp_tmds/in.mos2
differs from step 100 on (output row 1)
PACKAGES/interlayer/saip_metal_tmd/in.au_mos2
differs from step 100 on (output row 1)
PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d
differs from step 100 on (output row 1)
PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw
differs from step 140 on (output row 14)
PACKAGES/plumed/in.peptide-plumed
differs from step 10 on (output row 1)
PACKAGES/rhok/in.crystal
differs from step 50 on (output row 1)
SPIN/bfo/in.spin.bfo
differs from step 50 on (output row 1)
SPIN/test_problems/validation_nvt/in.spin.nvt_lattice
differs from step 200 on (output row 1)
charmmfsw/in.charmmfsw
differs from step 20 on (output row 2)
coreshell/in.coreshell
differs from step 100 on (output row 2)
coreshell/in.coreshell.thermostats
differs from step 100 on (output row 2)
coreshell/in.coreshell.wolf
differs from step 50 on (output row 1)
deposit/in.deposit.molecule
differs from step 200 on (output row 2)
deposit/in.deposit.molecule.shake
differs from step 200 on (output row 2)
eim/in.eim
differs from step 50 on (output row 1)
mc/in.hmc.rigid
differs from step 100 on (output row 1)
micelle/in.micelle-rigid
differs from step 50 on (output row 12)
peri/in.peri.eps
differs from step 100 on (output row 1)
peri/in.peri.lps
differs from step 100 on (output row 1)
peri/in.peri.ves
differs from step 100 on (output row 1)
rdf-adf/in.spce.hbond
differs from step 200 on (output row 2)
rigid/in.rigid.nve
differs from step 50 on (output row 1)
rigid/in.rigid.nve.early
differs from step 50 on (output row 1)
template/in.mol-data-mix
differs from step 200 on (output row 2)
template/in.molecular-mix
differs from step 190 on (output row 2)
template/in.template-mix
differs from step 190 on (output row 2)
template/in.tmpl-data-mix
differs from step 200 on (output row 2)

Differs after 200 to 1000 steps (27)

ASPHERE/box/in.box
differs from step 1000 on (output row 12)
ASPHERE/box/in.box.mp
differs from step 1000 on (output row 12)
ASPHERE/dimer/in.dimer
differs from step 1000 on (output row 12)
ASPHERE/dimer/in.dimer.mp
differs from step 1000 on (output row 12)
ASPHERE/line/in.line
differs from step 1000 on (output row 1)
ASPHERE/line/in.line.srd
differs from step 1000 on (output row 1)
ASPHERE/star/in.star
differs from step 1000 on (output row 12)
ASPHERE/star/in.star.mp
differs from step 1000 on (output row 12)
PACKAGES/bocs/in.methanol
differs from step 500 on (output row 1)
PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
differs from step 500 on (output row 5)
PACKAGES/manybody_table/in.spce
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce2
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce_sw
differs from step 900 on (output row 9)
PACKAGES/pedone/in.pedone.melt
differs from step 600 on (output row 6)
PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene
differs from step 500 on (output row 5)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
differs from step 550 on (output row 11)
PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
differs from step 550 on (output row 11)
PACKAGES/rhok/in.setup
differs from step 700 on (output row 7)
PACKAGES/shock/nemd/in.nemd
differs from step 800 on (output row 12)
body/in.cubes
differs from step 1000 on (output row 1)
body/in.squares
differs from step 1000 on (output row 1)
body/in.wall2d
differs from step 1000 on (output row 1)
granregion/in.granregion.box
differs from step 400 on (output row 4)
micelle/in.micelle
differs from step 850 on (output row 38)
python/in.pair_python_hybrid
differs from step 350 on (output row 8)
python/in.pair_python_melt
differs from step 350 on (output row 8)
srd/in.srd.mixture
differs from step 800 on (output row 10)

Differs only after 1000 steps, consistent with chaos (13)

ASPHERE/flat_membrane/in.flat_membrane
differs from step 1600 on (output row 8)
PACKAGES/cauchy/in.cauchystat
differs from step 1800 on (output row 19)
PACKAGES/gle/in.h2o-quantum
differs from step 1500 on (output row 15)
PACKAGES/gle/in.h2o-smart
differs from step 3300 on (output row 33)
PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
SPIN/test_problems/validation_nve/in.spin.iron-nve
differs from step 6400 on (output row 32)
cmap/in.cmap
differs from step 10000 on (output row 10)
colloid/in.colloid
differs from step 6000 on (output row 6)
ellipse/in.ellipse.gayberne
differs from step 2400 on (output row 25)
ellipse/in.ellipse.resquared
differs from step 2900 on (output row 30)
meam/in.meam.shear
differs from step 1600 on (output row 21)
mesh/in.mesh_box
differs from step 1400 on (output row 8)
rigid/in.rigid.tnr
differs from step 5800 on (output row 59)

Not really tested (202)

92	no reference log file, run as a crash test
54	no reference log file, not shortened
29	package not installed
27	needs a multi-partition run

All tests

Status	Test	Time (s)	Details
✗ failed	`ASPHERE/box/in.box`	14.4	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/box/in.box.mp`	14.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer`	5.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer.mp`	11.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✓ passed	`ASPHERE/ellipsoid/in.ellipsoid`	7.6
✓ passed	`ASPHERE/ellipsoid/in.ellipsoid.mp`	7.7
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	6.5	completed, 1 abs diff and 2 rel diff checks failed differs from step 1600 on (output row 8)
✗ failed	`ASPHERE/line/in.line`	4.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`ASPHERE/line/in.line.srd`	35.2	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`ASPHERE/poly/in.poly`	6.8
✓ passed	`ASPHERE/poly/in.poly.mp`	7.1
✗ failed	`ASPHERE/star/in.star`	9.7	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/star/in.star.mp`	9.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
○ skipped	`ASPHERE/superellipsoid_gran/in.bowling`	0.5	completed, numerical checks skipped due to missing the reference log file
○ skipped	`ASPHERE/superellipsoid_gran/in.drop_test`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`ASPHERE/superellipsoid_gran/in.super_table`	1.0	completed, numerical checks skipped due to missing the reference log file
✗ failed	`ASPHERE/tri/in.tri.srd`	118.0	completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) the run needs 118 s: a production sized run that should be shortened in the repository
✓ passed	`ASPHERE/vesicle/in.vesicle`	8.9
⚠ error	`COUPLE/lammps_spparks/in.lammps`	0.5	failed, ERROR: Cannot open file data.lammps: No such file or directory (src/read_data.cpp:382)
⚠ error	`COUPLE/lammps_spparks/in.spparks`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: seed 56789 (src/input.cpp:308)
○ skipped	`COUPLE/multiple/in.chain`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`COUPLE/plugin/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
○ skipped	`COUPLE/python/in.fix_external`	0.5	completed, but no Step nor Loop in the output
○ skipped	`COUPLE/simple/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
○ skipped	`DIFFUSE/in.msd.2d`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.msd.2d.smoke.1, log.vacf.2d.smoke.1 in this folder match no input script at all: check the names
○ skipped	`DIFFUSE/in.vacf.2d`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.msd.2d.smoke.1, log.vacf.2d.smoke.1 in this folder match no input script at all: check the names
○ skipped	`ELASTIC/in.elastic`	0.7	completed, numerical checks skipped due to missing the reference log file
○ skipped	`ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov`	78.1	completed, error parsing log.ljcov.1 into YAML the run needs 78 s: a production sized run that should be shortened in the repository
○ skipped	`ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov`	85.3	completed, error parsing log.ljcov.1 into YAML the run needs 85 s: a production sized run that should be shortened in the repository
○ skipped	`ELASTIC_T/BORN_MATRIX/Silicon/in.elastic`	48.4	completed, error parsing log.elastic.1 into YAML
○ skipped	`ELASTIC_T/DEFORMATION/Silicon/in.elastic`	5.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`GRAPHICS/in.bpm-fracture`	29.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`GRAPHICS/in.breakable`	10.7	completed, error parsing log.breakable.smoke.1 into YAML
○ skipped	`GRAPHICS/in.cubes-and-pyramids`	3.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
⚠ error	`GRAPHICS/in.mixer-drum`	1.0	failed, ERROR: Could not create 3d grid of processors (src/procmap.cpp:71)
○ skipped	`GRAPHICS/in.obstacle-lines`	8.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`GRAPHICS/in.peptide-depth`	18.5	completed, error parsing log.peptide-depth.smoke.1 into YAML
○ skipped	`GRAPHICS/in.peptide-hbonds`	11.0	completed, error parsing log.peptide-hbonds.smoke.1 into YAML
○ skipped	`GRAPHICS/in.peptide-pimd`	0.0	skipped, needs a multi-partition run ("fix 1 all pimd/langevin")
○ skipped	`GRAPHICS/in.rhodo-delaunay`	26.9	completed, error parsing log.rhodo-delaunay.smoke.1 into YAML
○ skipped	`GRAPHICS/in.water-arrows`	25.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`HEAT/in.lj.ehex`	0.8	completed, error parsing log.lj.ehex.smoke.1 into YAML
○ skipped	`HEAT/in.lj.hex`	0.8	completed, error parsing log.lj.hex.smoke.1 into YAML
○ skipped	`HEAT/in.spce.ehex`	5.2	completed, error parsing log.spce.ehex.smoke.1 into YAML
○ skipped	`HEAT/in.spce.hex`	5.2	completed, error parsing log.spce.hex.smoke.1 into YAML
○ skipped	`KAPPA/in.ehex`	124.2	completed, numerical checks skipped due to missing the reference log file the run needs 124 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
○ skipped	`KAPPA/in.heat`	133.1	completed, numerical checks skipped due to missing the reference log file the run needs 133 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
○ skipped	`KAPPA/in.heatflux`	185.0	completed, numerical checks skipped due to missing the reference log file the run needs 185 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
○ skipped	`KAPPA/in.langevin`	133.6	completed, numerical checks skipped due to missing the reference log file the run needs 134 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
○ skipped	`KAPPA/in.mp`	159.0	completed, numerical checks skipped due to missing the reference log file the run needs 159 s: a production sized run that should be shortened in the repository (shortening its run commands makes it fail, so it has to be done by hand)
✓ passed	`LEPTON/in.efield-lepton`	1.6
✓ passed	`MC-LOOP/in.mc`	0.7
✓ passed	`PACKAGES/addtorque_group/in.addtorque`	44.9
⚠ error	`PACKAGES/adios/balance/in.adios_balance`	1.0	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/balance/in.adios_balance2`	1.1	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.first`	1.1	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.read_dump`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.rerun`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/alchemy/in.alloy`	0.0	skipped, needs a multi-partition run ("fix 2 all alchemy")
○ skipped	`PACKAGES/alchemy/in.twowater`	0.0	skipped, needs a multi-partition run ("fix transform all alchemy")
○ skipped	`PACKAGES/apip/in.surface.balance`	74.9	completed, numerical checks skipped due to missing the reference log file the run needs 75 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
○ skipped	`PACKAGES/apip/in.surface.la.cons`	46.9	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
○ skipped	`PACKAGES/apip/in.surface.la.cons.balance`	97.6	completed, numerical checks skipped due to missing the reference log file the run needs 98 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
✓ passed	`PACKAGES/apip/in.surface.la.nocons`	5.9
✓ passed	`PACKAGES/apip/in.vacancy.const.lambda`	2.2
○ skipped	`PACKAGES/apip/in.vacancy.dynamic.lambda`	3.2	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
✓ passed	`PACKAGES/apip/in.validate`	0.5
✗ failed	`PACKAGES/baoab/in.baoab_lj`	0.8	completed, 4 abs diff and 4 rel diff checks failed differs from step 200 on (output row 13)
◴ timeout	`PACKAGES/basal/in.basal`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	1.4
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	2.4
✓ passed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	2.6
✗ failed	`PACKAGES/bocs/in.methanol`	20.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	16.1
✓ passed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	0.8
✓ passed	`PACKAGES/brownian/align_self/in.alignself_dipole`	3.1
✓ passed	`PACKAGES/brownian/align_self/in.alignself_quat`	5.7
✓ passed	`PACKAGES/brownian/asphere/in.2d.ellipsoid`	1.3
✓ passed	`PACKAGES/brownian/asphere/in.3d.ellipsoid`	1.3
✓ passed	`PACKAGES/brownian/point/in.2d.point`	0.9
✓ passed	`PACKAGES/brownian/point/in.3d.point`	1.0
✓ passed	`PACKAGES/brownian/sphere/in.2d.sphere`	0.8
✓ passed	`PACKAGES/brownian/sphere/in.3d.sphere`	1.1
✓ passed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	1.5
✓ passed	`PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp`	3.9
✗ failed	`PACKAGES/cauchy/in.cauchystat`	1.6	completed, 1 abs diff and 1 rel diff checks failed differs from step 1800 on (output row 19)
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring`	4.2
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2`	0.7
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2`	1.2	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_lj.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring`	3.8
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2`	0.7
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2`	1.1	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_real.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2`	0.7
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2`	0.7
○ skipped	`PACKAGES/cgspica/peg-verlet/in.pegc12e8`	64.5	completed, error parsing log.pegc12e8.1 into YAML the run needs 64 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle`	62.8	completed, error parsing log.pegc12e8-angle.1 into YAML the run needs 63 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-hybrid`	6.4
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	6.0
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	1.7	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid-real`	1.0	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-polymer`	1.3	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/class2xe/in.NVT_class2xe.script`	0.5
○ skipped	`PACKAGES/cnp/in.cnp`	10.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/colvars/in.peptide-colvars`	4.1	completed, error parsing log.peptide-colvars.1 into YAML
○ skipped	`PACKAGES/colvars/in.peptide-colvars2`	1.8	completed, error parsing log.peptide-colvars2.1 into YAML
✓ passed	`PACKAGES/colvars/in.peptide-spring`	1.8
✓ passed	`PACKAGES/colvars/in.peptide-spring2`	1.8
○ skipped	`PACKAGES/dielectric/in.confined`	0.7	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
○ skipped	`PACKAGES/dielectric/in.nopbc`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
✓ passed	`PACKAGES/diffraction/in.BulkNi`	157.2	the run needs 157 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/dispersion/in.d2`	4.0
✓ passed	`PACKAGES/dispersion/in.d3`	6.8
✗ failed	`PACKAGES/dpd-basic/dpd/in.dpd`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long`	1.1	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 5)
✓ passed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	8.8
✗ failed	`PACKAGES/dpd-basic/dpdext/in.dpdext`	1.1	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat`	20.6
✗ failed	`PACKAGES/dpd-meso/edpd/in.edpd`	61.9	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1) the run needs 62 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/dpd-meso/edpd/in.edpd-region`	61.9	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1) the run needs 62 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/dpd-meso/mdpd/in.mdpd`	78.0	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output the run needs 78 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/dpd-meso/tdpd/in.tdpd`	45.8
✓ passed	`PACKAGES/dpd-meso/tdpd/in.tdpd-region`	44.9
○ skipped	`PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow`	0.9	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/dpd-vv/in.dpd-vv`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow`	0.8	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/dpde-vv/in.dpde-vv`	1.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow`	3.3	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow`	0.7	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow`	0.7	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-react/multi-lucy/in.multi-lucy`	1.5	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/dpd-smooth/2d-diffusion/in.lammps`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/dpd-smooth/equipartition-verification/in.lammps`	11.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
✗ failed	`PACKAGES/drude/butane/in.butane.lang`	38.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/drude/butane/in.butane.nh`	38.5	completed, 3 abs diff and 5 rel diff checks failed differs from step 150 on (output row 3)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	37.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 150 on (output row 3)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.lang`	34.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 60 on (output row 3)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.nh`	34.3	completed, 5 abs diff and 5 rel diff checks failed differs from step 60 on (output row 3)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.tgnh`	36.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 60 on (output row 3)
✗ failed	`PACKAGES/drude/ethylene_glycol/in.ethylene_glycol`	17.3	completed, 4 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang`	52.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh`	46.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.lang`	54.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.nh`	55.3	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/e3b/in.e3b-tip4p2005`	2.1
✓ passed	`PACKAGES/edip/in.edip-Si`	0.7
✓ passed	`PACKAGES/edip/in.edip-Si-multi`	0.7
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.5
✓ passed	`PACKAGES/ees/in.fix_wall`	0.6
✓ passed	`PACKAGES/ees/in.fix_wall_region`	0.7
✓ passed	`PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve`	69.2	the run needs 69 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/eff/Be-solid/in.Be-solid.spe`	11.7	completed, numerical checks skipped due to missing the reference log file
✓ passed	`PACKAGES/eff/CH4/in.ch4.dynamics`	1.2
✓ passed	`PACKAGES/eff/CH4/in.ch4.min`	0.6
✓ passed	`PACKAGES/eff/CH4/in.ch4_ionized.dynamics`	13.1
✓ passed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6`	0.5
✓ passed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang`	3.8
○ skipped	`PACKAGES/eff/ECP/SiC/bulk/in.SiC`	23.3	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/eff/ECP/SiH4/in.SiH4`	0.5	completed, error parsing log.SiH4.1 into YAML
○ skipped	`PACKAGES/eff/ECP/SiH4/in.SiH4.ang`	0.5	completed, error parsing log.SiH4.ang.1 into YAML
○ skipped	`PACKAGES/eff/H/in.h_atom.spe.ang`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.h_atom.spe.ang.1, log.h_atom.spe.ang.2, log.h_atom.spe.ang.4, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/H/in.h_atom.spe.bohr`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.h_atom.spe.ang.1, log.h_atom.spe.ang.2, log.h_atom.spe.ang.4, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/H2/in.h2`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/eff/H_plasma/in.h2bulk.npt`	37.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/H_plasma/in.h2bulk.nve`	59.1	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/H_plasma/in.h2bulk.nve.ang`	63.5	completed, numerical checks skipped due to missing the reference log file the run needs 64 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.h2bulk.nve.ang.1, log.h2bulk.nve.ang.2, log.h2bulk.nve.ang.4 ...
○ skipped	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.min`	30.0	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt`	53.6	completed, numerical checks skipped due to missing the reference log file
○ skipped	`PACKAGES/eff/Li-solid/in.Li.ang`	18.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.Li.ang.smoke.1 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/Li-solid/in.Li.bohr`	43.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.Li.ang.smoke.1 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.C2H6fc.ang.smoke.1, log.C2H6fc.bohr.smoke.1 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.C2H6fc.ang.smoke.1, log.C2H6fc.bohr.smoke.1 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.CH4fc.ang.smoke.1, log.CH4fc.bohr.smoke.1, log.CH4fc.spe.ang.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/electrode/au-aq/in.ffield`	143.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 144 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
○ skipped	`PACKAGES/electrode/au-aq/in.tf`	144.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 145 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
○ skipped	`PACKAGES/electrode/graph-il/in.conp`	15.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.conq`	15.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.conq2`	15.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.etypes`	15.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.ffield`	14.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.ramp`	15.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/graph-il/in.thermo`	15.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
○ skipped	`PACKAGES/electrode/madelung/in.cg`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
✓ passed	`PACKAGES/electrode/madelung/in.eta`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_cg`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_mix`	0.5
✗ failed	`PACKAGES/electrode/madelung/in.ewald-ew2d`	0.5	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output
○ skipped	`PACKAGES/electrode/madelung/in.ewald-ew3dc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.ewald-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.pppm-ew3dc`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
○ skipped	`PACKAGES/electrode/madelung/in.pppm-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◴ timeout	`PACKAGES/electrode/piston/in.piston`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew2d`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew3dc`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ffield`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ew3dc`	1.4
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ffield`	1.4
✓ passed	`PACKAGES/electron_stopping/in.cascade_AlCu`	5.9
✓ passed	`PACKAGES/electron_stopping/in.cascade_SiSi`	10.1
✓ passed	`PACKAGES/electron_stopping/in.elstop`	18.3
✓ passed	`PACKAGES/electron_stopping/in.elstop.only`	1.3
○ skipped	`PACKAGES/entropy/in.entropy`	1.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 20 on (output row 2)
○ skipped	`PACKAGES/fep/C7inEthanol/fep01/in.insertion`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/fep/C7inEthanol/fep10/in.deletion`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/fep/CC-CO/fep01/in.fep01.lmp`	1.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CC-CO/fep10/in.fep10.lmp`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp`	1.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp`	2.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp`	2.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/fep/ta/in.spce.lmp`	4.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
○ skipped	`PACKAGES/filter_corotate/in.bpti`	21.9	completed, error parsing log.bpti.1 into YAML
✗ failed	`PACKAGES/filter_corotate/in.peptide`	86.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2) the run needs 86 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/flow_gauss/in.GD`	1.7
○ skipped	`PACKAGES/gauss_diel/in.gauss-diel`	0.8	completed, error parsing log.gauss-diel.smoke.1 into YAML
○ skipped	`PACKAGES/gauss_diel/in.gauss-diel-cg`	0.7	completed, error parsing log.gauss-diel-cg.smoke.1 into YAML
○ skipped	`PACKAGES/gauss_diel/in.gauss-diel-split`	0.9	completed, error parsing log.gauss-diel-split.smoke.1 into YAML
✗ failed	`PACKAGES/gle/in.h2o-quantum`	9.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1500 on (output row 15)
✗ failed	`PACKAGES/gle/in.h2o-smart`	9.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 3300 on (output row 33)
⚠ error	`PACKAGES/grem/lj-6rep/in.gREM`	1.1	failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:382)
✗ failed	`PACKAGES/grem/lj-single/in.gREM-npt`	0.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1)
✓ passed	`PACKAGES/grem/lj-single/in.gREM-nvt`	0.7
○ skipped	`PACKAGES/grem/lj-temper/in.gREM-temper`	0.0	skipped, needs a multi-partition run ("temper/grem")
⚠ error	`PACKAGES/hdnnp/in.hdnnp`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/hdnnp/in.hybrid`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/hma/in.hma`	53.0	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/ilves/in.cg-polymers`	2.8
✓ passed	`PACKAGES/ilves/in.covid`	95.7	the run needs 96 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/ilves/in.dimer`	0.8	completed, error parsing log.dimer.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-allbonds`	4.1	completed, error parsing log.peptide-allbonds.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-fixed`	4.2	completed, error parsing log.peptide-fixed.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-ilves`	4.1	completed, error parsing log.peptide-ilves.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-mix`	4.2	completed, error parsing log.peptide-mix.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-rattle`	4.0	completed, error parsing log.peptide-rattle.1 into YAML
○ skipped	`PACKAGES/ilves/in.peptide-shake`	4.0	completed, error parsing log.peptide-shake.1 into YAML
✓ passed	`PACKAGES/ilves/in.polymelt`	22.4
○ skipped	`PACKAGES/ilves/in.rhodo-allbonds`	44.3	completed, error parsing log.rhodo-allbonds.1 into YAML
○ skipped	`PACKAGES/ilves/in.rhodo-ilves`	43.7	completed, error parsing log.rhodo-ilves.1 into YAML
○ skipped	`PACKAGES/ilves/in.rhodo-shake`	42.4	completed, error parsing log.rhodo-shake.1 into YAML
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv-filter_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd_v3`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd-gpu`	0.0	skipped as specified in the test configuration
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water`	14.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	7.2	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/drip/in.CH_drip`	1.7	completed, 2 abs diff and 1 rel diff checks failed differs from step 40 on (output row 4)
✓ passed	`PACKAGES/interlayer/drip/in.C_drip`	1.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	56.5
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	61.9	the run needs 62 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	59.8
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	63.7	the run needs 64 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	46.0	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene`	54.1	failed, mismatched columns in the log files
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.6
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	1.5
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	7.3
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	53.6	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/ipi/in.graphene`	1.1	failed, ERROR on proc 0: Error opening UNIX socket: server may not be running or the path to the socket unavailable (src/MISC/fix_ipi.cpp:131)
◴ timeout	`PACKAGES/latboltz/confined_colloid/in.confined_colloids`	240.4	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	8.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/latboltz/dragforce/in.dragtest`	232.7	the run needs 233 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/latboltz/microrheology/in.microrheology`	31.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/latboltz/pit_geometry/in.pits`	160.6	the run needs 161 s: a production sized run that should be shortened in the repository
○ skipped	`PACKAGES/latboltz/planewall/in.planewall`	9.4	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/latboltz/polymer/in.polymer`	4.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◴ timeout	`PACKAGES/latboltz/toycar/in.toycar`	240.3	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
○ skipped	`PACKAGES/latboltz/translocation/in.translocation`	4.1	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/local_density/benzene_water/in.benzene_water`	23.6	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	54.3	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull`	1.7
✓ passed	`PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction`	20.8
✓ passed	`PACKAGES/machdyn/funnel_flow/in.funnel_flow`	21.7
✗ failed	`PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d`	14.5	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull`	2.3
✗ failed	`PACKAGES/manybody_table/in.spce`	4.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce2`	4.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce_sw`	4.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 900 on (output row 9)
✓ passed	`PACKAGES/mbx/256h2o/in.256h2o`	53.7
✓ passed	`PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole`	56.0
✓ passed	`PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o`	19.6
✓ passed	`PACKAGES/mbx/na+_slab/in.na+_slab`	203.6	the run needs 204 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/meam_spline/in.meam-spline.Si`	2.2
✓ passed	`PACKAGES/meam_spline/in.meam-spline.TiO2`	66.7	the run needs 67 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc_relax`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Si/in.dc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.dc_relax`	1.2
✓ passed	`PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw`	9.1
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc_relax`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.hcp_relax`	1.2
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc_relax`	0.6
✓ passed	`PACKAGES/meam_sw_spline/Si/in.single_atom`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.alpha`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation`	1.2
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.beta`	0.6
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw`	53.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 140 on (output row 14)
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.fcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.hexagonal`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.omega`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.single_atom`	0.5
✓ passed	`PACKAGES/mesont/in.film_mesocnt`	8.4
✓ passed	`PACKAGES/mgpt/in.bcc0`	0.6
✓ passed	`PACKAGES/mgpt/in.vac0-bcc`	0.6
✓ passed	`PACKAGES/mgpt/in.vacmin-bcc`	5.5
✓ passed	`PACKAGES/ml-runner/in.ml-runner.H2O`	2.8
○ skipped	`PACKAGES/mofff/in.hkust1`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/mofff/in.hkust1_long`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`PACKAGES/momb/in.system`	11.7
⚠ error	`PACKAGES/moments/in.converge`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
⚠ error	`PACKAGES/moments/in.simple`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
⚠ error	`PACKAGES/moments/in.valtest`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58)
○ skipped	`PACKAGES/momentum/in.momentum`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/mop/in.compute_stress_mop`	0.6
✓ passed	`PACKAGES/neighbor-swap/in.KMC_pulse_center`	52.2
✓ passed	`PACKAGES/neighbor-swap/in.KMC_pulse_edge`	50.5
✓ passed	`PACKAGES/orient_eco/in.orient_eco`	114.8	the run needs 115 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/pace/compute/in.compute`	0.6
✓ passed	`PACKAGES/pace/in.pace.product`	7.6
✓ passed	`PACKAGES/pace/in.pace.recursive`	5.9
✓ passed	`PACKAGES/pafi/in.pafi`	3.9
✗ failed	`PACKAGES/pedone/in.pedone.melt`	10.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 600 on (output row 6)
✗ failed	`PACKAGES/pedone/in.pedone.relax`	14.9	failed, thermo checks skipped due to mismatched number of steps in the log files
○ skipped	`PACKAGES/phonon/1-1D-mono/in.Ana`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/1-1D-mono/in.disp`	0.0	skipped as specified in the test configuration
✓ passed	`PACKAGES/phonon/2-1D-diatomic/in.Ana`	11.1
○ skipped	`PACKAGES/phonon/2-1D-diatomic/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp2`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/4-Graphene/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/4-Graphene/in.graphene`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon`	0.5	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units_group/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/para-h2/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/prot-hairpin/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
✗ failed	`PACKAGES/plumed/in.peptide-plumed`	2.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`PACKAGES/pod/InP/in.fitpod.InP`	0.5	failed, ERROR: Cannot fit potential without data files. The data paths may not be valid. Please check the data paths in the POD data file. (src/ML-POD/fitpod_command.cpp:708)
✓ passed	`PACKAGES/pod/InP/in.pod.InP`	2.5
○ skipped	`PACKAGES/pod/Ta/in.fitpod`	0.7	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/pod/Ta/in.pod`	0.8
✓ passed	`PACKAGES/pod/Ta/in.pod.compute`	0.6
✓ passed	`PACKAGES/ptm/in.ptm`	0.6
⚠ error	`PACKAGES/qmmm-xtb/in.qmmm-xtb`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'pppm/xtb' is part of the QMMM-XTB package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/qmmm-xtb/in.qmmm-xtb-minimize`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'pppm/xtb' is part of the QMMM-XTB package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/qmmm-xtb/in.qmmm-xtb-triclinic`	0.6	failed, package not installed, ERROR: Unrecognized kspace style 'pppm/xtb' is part of the QMMM-XTB package which is not enabled in this LAMMPS binary.
✗ failed	`PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst`	34.4	completed, 3 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb`	7.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst`	78.2	the run needs 78 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/qtb/methane_qtb/in.methane_qtb`	7.0
✓ passed	`PACKAGES/quip/in.gap`	1.8
✓ passed	`PACKAGES/quip/in.molecular`	0.6
✓ passed	`PACKAGES/quip/in.sw`	1.1
✗ failed	`PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene`	5.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 500 on (output row 5)
✓ passed	`PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt`	52.0
✓ passed	`PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized`	0.9
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized`	2.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 550 on (output row 11)
✓ passed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability`	0.7
✓ passed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.7
✗ failed	`PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized`	2.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 550 on (output row 11)
○ skipped	`PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
✗ failed	`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	15.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`PACKAGES/rhok/in.crystal`	21.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/rhok/in.pinning`	20.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/rhok/in.setup`	14.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 700 on (output row 7)
⚠ error	`PACKAGES/scafacos/in.scafacos`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.direct`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
✓ passed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	6.4
✓ passed	`PACKAGES/shock/msst/in.msst`	6.2
✗ failed	`PACKAGES/shock/nemd/in.nemd`	17.3	completed, 8 abs diff and 8 rel diff checks failed differs from step 800 on (output row 12)
○ skipped	`PACKAGES/slater/in.slater`	22.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/smtbq/in.smatbAgCuPancake`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smatbBulkFCC`	0.7	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smtbq.Al`	3.0	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`PACKAGES/smtbq/in.smtbq.Al2O3`	202.6	completed, numerical checks skipped due to missing the reference log file the run needs 203 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, . ...
◴ timeout	`PACKAGES/smtbq/in.smtbq.TiO2`	240.0	failed, no Total wall time in the output, timeout (240s expired) the run needs 240 s and hits the timeout of 240 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/sna_nnn_slcsa/in.slcsa`	0.5	failed, ERROR: Invalid compute slcsa/atom argument: slcsa (src/EXTRA-COMPUTE/compute_slcsa_atom.cpp:115)
✓ passed	`PACKAGES/srp/in.srp`	5.5
✓ passed	`PACKAGES/srp_react/in.srp_react`	52.7
✓ passed	`PACKAGES/stressprofile/in.cylinder`	4.3
✓ passed	`PACKAGES/stressprofile/in.flat`	2.6
✓ passed	`PACKAGES/stressprofile/in.sphere`	1.7
✓ passed	`PACKAGES/symmetry/in.lj_binary_fcc_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_diamond_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_fcc_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_pinv`	0.6
✓ passed	`PACKAGES/symmetry/in.lj_pm_wyckoff`	0.5
✓ passed	`PACKAGES/symmetry/in.sic_c2`	0.5
✓ passed	`PACKAGES/tally/in.force`	2.5
✓ passed	`PACKAGES/tally/in.pe`	2.7
✓ passed	`PACKAGES/tally/in.stress`	2.5
○ skipped	`PACKAGES/temper_npt/in.temper_npt`	0.0	skipped, needs a multi-partition run ("temper/npt")
○ skipped	`PACKAGES/ti/in.ti_spring`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/tmd/in.tmd`	4.2	completed, error parsing log.tmd.1 into YAML
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	3.7
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	3.5
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.7
○ skipped	`PACKAGES/vtk/in.vtk`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/vtk/in.vtp`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/yaff/mil53al/in.mil53a`	8.8	completed, error parsing log.mil53a.1 into YAML
○ skipped	`PACKAGES/yaff/mof5/in.mof5`	2.4	completed, error parsing log.mof5.1 into YAML
⚠ error	`QUANTUM/LATTE/in.ch4`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.ch4.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/LATTE/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/NWChem/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/NWChem/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
○ skipped	`QUANTUM/NWChem/in.water.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
○ skipped	`QUANTUM/NWChem/in.zeolite.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`QUANTUM/PySCF/in.mixture.mm`	1.0	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm`	0.6	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`SPIN/bfo/in.spin.bfo`	4.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	1.8
✗ failed	`SPIN/cobalt_hcp/in.spin.cobalt_hcp`	1.9	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✓ passed	`SPIN/dipole_spin/in.spin.iron_dipole_cut`	4.0
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_ewald`	7.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_pppm`	8.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
○ skipped	`SPIN/gneb/iron/in.gneb.iron`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
○ skipped	`SPIN/gneb/skyrmion/in.gneb.skyrmion`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
✗ failed	`SPIN/iron/in.spin.iron`	1.0	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/iron/in.spin.iron_cubic`	1.2	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✓ passed	`SPIN/nickel/in.spin.nickel`	1.7
✓ passed	`SPIN/nickel/in.spin.nickel_cubic`	1.7
✓ passed	`SPIN/read_restart/in.spin.read_data`	3.5
✓ passed	`SPIN/read_restart/in.spin.restart`	1.1
✓ passed	`SPIN/read_restart/in.spin.write_restart`	1.3
⚠ error	`SPIN/setforce_spin/in.spin.setforce`	1.0	failed, no Total wall time in the output,
✓ passed	`SPIN/spinmin/in.spin.bfo_min`	4.5
✓ passed	`SPIN/spinmin/in.spin.bfo_min_cg`	4.6
✓ passed	`SPIN/spinmin/in.spin.bfo_min_lbfgs`	0.7
✓ passed	`SPIN/spinmin/in.spin.iron_min`	0.6
✗ failed	`SPIN/test_problems/validation_nve/in.spin.iron-nve`	1.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 6400 on (output row 32)
✗ failed	`SPIN/test_problems/validation_nvt/in.spin.nvt_lattice`	7.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1)
✓ passed	`SPIN/test_problems/validation_nvt/in.spin.nvt_spin`	7.0
✓ passed	`UNITS/in.ar.lj`	0.5
✓ passed	`UNITS/in.ar.metal`	0.5
✓ passed	`UNITS/in.ar.real`	0.5
✗ failed	`VISCOSITY/in.cos.1000SPCE`	31.3	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✓ passed	`VISCOSITY/in.einstein.2d`	33.7
✓ passed	`VISCOSITY/in.gk.2d`	34.1
✓ passed	`VISCOSITY/in.mp.2d`	4.9
✓ passed	`VISCOSITY/in.nemd.2d`	16.7
✓ passed	`VISCOSITY/in.wall.2d`	6.9
✓ passed	`airebo/in.airebo`	49.8
✓ passed	`airebo/in.airebo-0-0`	4.6
✓ passed	`airebo/in.airebo-bc`	50.1
✓ passed	`airebo/in.airebo-m`	52.6
✓ passed	`airebo/in.rebo2`	4.7
✓ passed	`amoeba/in.ubiquitin`	10.0
✓ passed	`amoeba/in.water_box.amoeba`	6.8
✓ passed	`amoeba/in.water_box.hippo`	6.1
✗ failed	`amoeba/in.water_dimer.amoeba`	0.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_dimer.hippo`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.amoeba`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.hippo`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`atm/in.atm`	11.9
○ skipped	`balance/in.balance`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.bond.fast`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.bond.slow`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.clock.dynamic`	3.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.clock.static`	2.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.group.dynamic`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.group.static`	1.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.kspace`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.neigh.dynamic`	3.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.neigh.rcb`	1.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.neigh.static`	4.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
○ skipped	`balance/in.balance.var.dynamic`	3.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.balance.bond.fast.1, log.balance.bond.fast.2, log.balance.bond.fast.4, ... in this folder match no input script at all: check the names
✓ passed	`body/in.body`	1.2
✗ failed	`body/in.cubes`	26.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`body/in.pour3d`	0.8
✗ failed	`body/in.squares`	3.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`body/in.wall2d`	2.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
○ skipped	`bpm/impact/in.bpm.impact.rotational`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
○ skipped	`bpm/impact/in.bpm.impact.spring`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
✓ passed	`bpm/metamaterial/in.bpm.metamaterial`	84.9	the run needs 85 s: a production sized run that should be shortened in the repository
○ skipped	`bpm/peri/benchmark/in.bench.bpm.pmb`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
○ skipped	`bpm/peri/benchmark/in.bench.legacy.pmb`	2.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
○ skipped	`bpm/peri/in.bpm.peri.eps`	2.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.peri.eps.1, log.bpm.peri.eps.2, log.bpm.peri.eps.4, ... in this folder match no input script at all: check the names
⚠ error	`bpm/peri/in.bpm.peri.lps`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.pmb`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.ves`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
✓ passed	`bpm/plasticity/in.bpm.plasticity`	126.8	the run needs 127 s: a production sized run that should be shortened in the repository
✓ passed	`bpm/poissons_ratio/in.bpm.poissons_ratio`	46.4
○ skipped	`bpm/pour/in.bpm.pour`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.pour.smoke.1 in this folder match no input script at all: check the names
✓ passed	`bpm/wires/in.bpm.wires`	14.7
✗ failed	`charmmfsw/in.charmmfsw`	14.2	completed, 2 abs diff and 1 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	1.6	completed, 1 abs diff and 1 rel diff checks failed differs from step 10000 on (output row 10)
✗ failed	`colloid/in.colloid`	3.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 6000 on (output row 6)
✓ passed	`comb/in.comb.Cu`	0.6
✓ passed	`comb/in.comb.Cu2O.elastic`	15.0
✓ passed	`comb/in.comb.HfO2`	3.8
✓ passed	`comb/in.comb.Si`	0.6
✓ passed	`comb/in.comb.Si.elastic`	0.9
✓ passed	`comb/in.comb3`	7.9
✓ passed	`controller/in.controller.temp`	7.7
✓ passed	`controller/in.controller.wall`	20.7
✗ failed	`coreshell/in.coreshell`	8.9	completed, 7 abs diff and 8 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`coreshell/in.coreshell.dsf`	17.4
✗ failed	`coreshell/in.coreshell.thermostats`	10.9	completed, 12 abs diff and 13 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`coreshell/in.coreshell.wolf`	21.6	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`crack/in.crack`	2.9
✗ failed	`deposit/in.deposit.atom`	2.5	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`deposit/in.deposit.molecule`	3.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`deposit/in.deposit.molecule.rigid-nve-small`	3.7
✓ passed	`deposit/in.deposit.molecule.rigid-nvt-small`	3.4
✓ passed	`deposit/in.deposit.molecule.rigid-small`	3.4
✗ failed	`deposit/in.deposit.molecule.shake`	3.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`dipole/in.charge_dipole`	18.0
✓ passed	`dipole/in.dipole`	1.0
○ skipped	`dreiding/in.dreiding`	0.7	completed, error parsing log.dreiding.1 into YAML
✗ failed	`eim/in.eim`	2.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`ellipse/in.ellipse.gayberne`	1.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 2400 on (output row 25)
✗ failed	`ellipse/in.ellipse.resquared`	2.7	completed, 0 abs diff and 2 rel diff checks failed differs from step 2900 on (output row 30)
✓ passed	`fire/in.abcfire`	0.7
✓ passed	`fire/in.abcfire_mod`	1.1
✓ passed	`fire/in.cg`	0.7
✓ passed	`fire/in.fire`	0.7
✓ passed	`fire/in.fire_mod`	0.7
✓ passed	`fire/in.meam.abcfire`	43.4
✓ passed	`fire/in.meam.fire`	59.7
○ skipped	`fire/in.neb.sivac.abcfire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.abcfire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.qm`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✓ passed	`flow/in.flow.couette`	0.6
✓ passed	`flow/in.flow.pois`	0.6
✓ passed	`friction/in.friction`	2.5
✓ passed	`gjf/in.gjf.vfull`	8.0
✓ passed	`gjf/in.gjf.vhalf`	8.2
✗ failed	`granregion/in.granregion.box`	0.9	completed, 6 abs diff and 10 rel diff checks failed differs from step 400 on (output row 4)
✓ passed	`granregion/in.granregion.funnel`	97.9	the run needs 98 s: a production sized run that should be shortened in the repository
✓ passed	`granregion/in.granregion.mixer`	23.0
✓ passed	`gransurf/in.line.gran.data`	0.7
✓ passed	`gransurf/in.line.gran.global`	0.7
✓ passed	`gransurf/in.line.gran.surf`	0.6
✓ passed	`gransurf/in.screwfeeder.local`	72.3	the run needs 72 s: a production sized run that should be shortened in the repository
✓ passed	`gransurf/in.tri.gran.data`	0.9
✓ passed	`gransurf/in.tri.gran.global`	1.1
✓ passed	`gransurf/in.tri.gran.global.stl`	0.9
✓ passed	`gransurf/in.tri.gran.surf`	0.9
✓ passed	`gransurf/in.tri.gran.surf.stl`	0.9
✓ passed	`gransurf/in.tribox.gran.data`	1.9
✓ passed	`gransurf/in.tribox.gran.global`	1.7
✓ passed	`gransurf/in.tribox.gran.global.stl`	0.7
✓ passed	`gransurf/in.tribox.gran.surf`	1.9
✓ passed	`gransurf/in.tribox.gran.surf.stl`	1.7
✓ passed	`granular/in.pour.drum`	10.6
✓ passed	`granular/in.pour.flatwall`	5.9
✓ passed	`granular/in.pour.heat`	76.3	the run needs 76 s: a production sized run that should be shortened in the repository
✓ passed	`granular/in.restitution`	1.2
✓ passed	`granular/in.sync_verlet`	0.7
✓ passed	`granular/in.tableting.200`	12.8
✓ passed	`granular/in.triaxial.compaction.12`	1.3
✓ passed	`grid/in.grid.2d`	0.6
✓ passed	`grid/in.grid.3d`	1.4
✓ passed	`grid/in.sph`	33.0
○ skipped	`hyper/in.hyper.global`	41.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.hyper.global.smoke.1, log.hyper.local.smoke.1 in this folder match no input script at all: check the names
○ skipped	`hyper/in.hyper.local`	10.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.hyper.global.smoke.1, log.hyper.local.smoke.1 in this folder match no input script at all: check the names
✓ passed	`indent/in.indent`	2.8
✓ passed	`indent/in.indent.min`	0.6
⚠ error	`kim/in.kim-ex.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LennardJones_Ar real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-property`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-query.melt`	0.6	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-query`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-sm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000 real (src/input.cpp:308)
✓ passed	`kim/in.lammps.melt`	2.3
✓ passed	`mc/in.gcmc.co2`	10.1
✗ failed	`mc/in.gcmc.h2o`	107.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 3) the run needs 108 s: a production sized run that should be shortened in the repository
✓ passed	`mc/in.gcmc.lj`	10.2
✓ passed	`mc/in.gcmc.region`	7.7
✓ passed	`mc/in.gcmc.restart`	8.3
○ skipped	`mc/in.gemc.lj`	0.0	skipped, needs a multi-partition run ("partition")
✓ passed	`mc/in.hmc.flexible.melt`	12.1
✗ failed	`mc/in.hmc.rigid`	11.2	completed, 6 abs diff and 6 rel diff checks failed differs from step 100 on (output row 1)
○ skipped	`mc/in.mixed`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.24Nov25.gemc.lj.0.g++.5, log.24Nov25.gemc.lj.1.g++.5, log.hmc.flexible.melt.1, ... in this folder match no input script at all: check the names
○ skipped	`mc/in.pure`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.24Nov25.gemc.lj.0.g++.5, log.24Nov25.gemc.lj.1.g++.5, log.hmc.flexible.melt.1, ... in this folder match no input script at all: check the names
✓ passed	`mc/in.sgcmc.eam`	33.7
✓ passed	`mc/in.widom.lj`	7.1
✗ failed	`mc/in.widom.spce`	35.6	completed, 2 abs diff and 0 rel diff checks failed differs in the very first thermo output
✓ passed	`mdi/in.aimd.alone`	0.5
⚠ error	`mdi/in.aimd.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.mm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.qm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.sequence.python`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.series.alone`	0.5
⚠ error	`mdi/in.series.driver`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`mdi/in.series.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.series.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.snapshot.alone`	0.6
⚠ error	`mdi/in.snapshot.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.driver.plugin`	1.0	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`meam/in.meam`	0.5
✗ failed	`meam/in.meam.shear`	29.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 1600 on (output row 21)
✓ passed	`meam/msmeam/in.msmeam`	0.6
✓ passed	`melt/in.melt`	0.9
✗ failed	`mesh/in.marble_race`	95.0	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output the run needs 95 s: a production sized run that should be shortened in the repository
✗ failed	`mesh/in.mesh_box`	9.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 1400 on (output row 8)
✗ failed	`micelle/in.micelle`	0.7	completed, 0 abs diff and 1 rel diff checks failed differs from step 850 on (output row 38)
✗ failed	`micelle/in.micelle-rigid`	0.7	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 12)
✓ passed	`min/in.min`	0.7
✓ passed	`min/in.min.box`	2.1
○ skipped	`mliap/in.mliap.ace.compute`	0.7	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.nn.Cu`	3.9
✓ passed	`mliap/in.mliap.nn.Ta06A`	1.4
⚠ error	`mliap/in.mliap.pytorch.Ta06A`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace.NN`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.relu1hidden`	1.1	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
○ skipped	`mliap/in.mliap.quadratic.compute`	0.6	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.Ta06A`	1.1
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	2.6
✓ passed	`mliap/in.mliap.snap.chem`	12.7
○ skipped	`mliap/in.mliap.snap.compute`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.quadratic`	1.7
○ skipped	`mliap/in.mliap.so3.Ni_Mo`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.so3.nn.Si`	3.7
⚠ error	`mliap/in.mliap.unified.lj.Ar`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`mliap/jax/in.run`	1.0	failed, ERROR: Using pair_style mliap unified requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:212)
✗ failed	`multi/in.colloid`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.granular`	1.4	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.powerlaw`	2.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`nb3b/in.nb3b`	4.7
✓ passed	`nb3b/in.nb3b.screened`	35.1
○ skipped	`neb/in.neb.hop1`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop1.end`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop2`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.sivac`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✓ passed	`nemd/in.nemd`	0.6
✓ passed	`numdiff/in.numdiff`	0.7
✓ passed	`obstacle/in.obstacle`	1.4
○ skipped	`peptide/in.peptide`	4.1	completed, error parsing log.peptide.1 into YAML
○ skipped	`peri/in.peri-pmb`	1.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`peri/in.peri.eps`	20.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`peri/in.peri.lps`	17.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`peri/in.peri.pmb`	11.2
✗ failed	`peri/in.peri.ves`	22.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`pour/in.pour`	13.7
✓ passed	`pour/in.pour.2d`	2.0
✓ passed	`pour/in.pour.2d.molecule`	2.3
○ skipped	`prd/in.prd`	0.0	skipped, needs a multi-partition run ("prd")
⚠ error	`python/in.fix_python_invoke`	0.6	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_invoke_neighlist`	0.6	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_move_nve_melt`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_group`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_opt`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
✓ passed	`python/in.pair_python_coulomb`	3.4
✓ passed	`python/in.pair_python_harmonic`	28.8
✗ failed	`python/in.pair_python_hybrid`	9.7	completed, 0 abs diff and 3 rel diff checks failed differs from step 350 on (output row 8)
✓ passed	`python/in.pair_python_long`	4.3
✗ failed	`python/in.pair_python_melt`	19.5	completed, 0 abs diff and 3 rel diff checks failed differs from step 350 on (output row 8)
✓ passed	`python/in.pair_python_spce`	9.0
✓ passed	`python/in.pair_python_table`	1.0
⚠ error	`python/in.python`	0.6	failed, ERROR on proc 0: Python evaluation of function loop failed (src/PYTHON/python_impl.cpp:416)
✓ passed	`python/in.python.wrap`	0.5
✓ passed	`qeq/in.qeq.buck`	18.5
✓ passed	`qeq/in.qeq.reaxff`	0.6
✗ failed	`rdf-adf/in.spce`	69.3	completed, 6 abs diff and 5 rel diff checks failed differs in the very first thermo output the run needs 69 s: a production sized run that should be shortened in the repository
✗ failed	`rdf-adf/in.spce.hbond`	57.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`reaxff/AB/in.AB`	2.5
✓ passed	`reaxff/AuO/in.AuO`	6.2
✓ passed	`reaxff/CHO/in.CHO`	3.5
✓ passed	`reaxff/FC/in.FC`	13.7
✓ passed	`reaxff/FeOH3/in.FeOH3`	2.5
✓ passed	`reaxff/HNS/in.reaxff.hns`	18.3
✓ passed	`reaxff/RDX/in.RDX`	5.4
✓ passed	`reaxff/VOH/in.VOH`	2.2
✓ passed	`reaxff/ZnOH2/in.ZnOH2`	1.0
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	11.4
✓ passed	`reaxff/in.reaxff.rdx`	0.6
✓ passed	`reaxff/in.reaxff.rdx-shielded`	0.6
✓ passed	`reaxff/in.reaxff.tatb`	2.2
✓ passed	`reaxff/in.reaxff.tatb-shielded`	2.7
✓ passed	`reaxff/water/in.water.acks2`	12.3
✓ passed	`reaxff/water/in.water.acks2.field`	16.2
✓ passed	`reaxff/water/in.water.qeq`	5.8
✓ passed	`reaxff/water/in.water.qeq.field`	5.1
✓ passed	`reaxff/water/in.water.qeqr`	5.7
✓ passed	`reaxff/water/in.water.qeqr.field`	6.9
✓ passed	`reaxff/water/in.water.qtpie`	7.1
✓ passed	`reaxff/water/in.water.qtpie.field`	7.0
✓ passed	`relres/in.22DMH.real`	53.8
✓ passed	`relres/in.22DMH.relres`	8.6
✓ passed	`relres/in.22DMH.respa`	6.1
✓ passed	`replicate/in.replicate.bond.x`	0.8
✓ passed	`replicate/in.replicate.bond.x.noloop`	0.7
✓ passed	`replicate/in.replicate.bond.x.y`	0.9
✓ passed	`replicate/in.replicate.bond.xy`	0.8
✓ passed	`replicate/in.replicate.cnt`	7.5
✗ failed	`rerun/in.first`	13.8	failed, thermo checks skipped due to mismatched number of steps in the log files
○ skipped	`rerun/in.rdf.first`	1.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`rerun/in.rdf.rerun`	2.2	completed, numerical checks skipped due to missing the reference log file
○ skipped	`rerun/in.read_dump`	0.8	completed, numerical checks skipped due to missing the reference log file
○ skipped	`rerun/in.rerun`	0.7	completed, numerical checks skipped due to missing the reference log file
○ skipped	`rheo/balloon/in.rheo.balloon`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rheo.balloon.smoke.1 in this folder match no input script at all: check the names
○ skipped	`rheo/dam-break/in.rheo.dam.break`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rheo.dam.break.1, log.rheo.dam.break.2, log.rheo.dam.break.4, ... in this folder match no input script at all: check the names
✗ failed	`rheo/ice-cubes/in.rheo.ice.cubes`	187.9	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) the run needs 188 s: a production sized run that should be shortened in the repository
○ skipped	`rheo/oxidation/in.rheo.oxidation`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rheo.oxidation.smoke.1 in this folder match no input script at all: check the names
○ skipped	`rheo/poiseuille/in.rheo.poiseuille`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rheo.poiseuille.smoke.1 in this folder match no input script at all: check the names
○ skipped	`rheo/taylor-green/in.rheo.taylor.green`	1.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.rheo.taylor.green.1, log.rheo.taylor.green.2, log.rheo.taylor.green.4, ... in this folder match no input script at all: check the names
✓ passed	`rigid/in.rigid`	0.6
✓ passed	`rigid/in.rigid.atomfile`	0.6
✓ passed	`rigid/in.rigid.atomvar`	0.6
✓ passed	`rigid/in.rigid.cubes`	1.0
✓ passed	`rigid/in.rigid.cubes.gravity`	0.8
✓ passed	`rigid/in.rigid.cubes.langevin`	0.8
○ skipped	`rigid/in.rigid.cubes.multirun`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✓ passed	`rigid/in.rigid.cubes.nph`	1.0
✓ passed	`rigid/in.rigid.cubes.npt`	1.0
✓ passed	`rigid/in.rigid.cubes.nve`	0.8
✓ passed	`rigid/in.rigid.cubes.nvt`	0.8
✓ passed	`rigid/in.rigid.cubes.partial`	0.7
✓ passed	`rigid/in.rigid.cubes.tri`	0.7
✓ passed	`rigid/in.rigid.dipoles`	0.6
✓ passed	`rigid/in.rigid.early`	0.6
✓ passed	`rigid/in.rigid.ellipsoids`	0.5
✓ passed	`rigid/in.rigid.gravity`	0.8
✓ passed	`rigid/in.rigid.infile`	0.5
✓ passed	`rigid/in.rigid.molecule`	0.6
✗ failed	`rigid/in.rigid.nve`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	0.6
✓ passed	`rigid/in.rigid.small`	0.6
✓ passed	`rigid/in.rigid.small.infile`	0.6
○ skipped	`rigid/in.rigid.small.kk`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✓ passed	`rigid/in.rigid.spheres`	0.7
✗ failed	`rigid/in.rigid.tnr`	11.3	completed, 18 abs diff and 22 rel diff checks failed differs from step 5800 on (output row 59)
✓ passed	`shear/in.shear`	3.9
✓ passed	`shear/in.shear.void`	3.3
✓ passed	`snap/in.C_SNAP`	29.7
✓ passed	`snap/in.gaussian.grid`	0.5
✓ passed	`snap/in.snap.InP.JCPA2020`	12.9
✓ passed	`snap/in.snap.Mo_Chen`	1.4
✓ passed	`snap/in.snap.Ta06A`	1.1
✓ passed	`snap/in.snap.W.2940`	2.9
✓ passed	`snap/in.snap.WBe.PRB2019`	2.6
○ skipped	`snap/in.snap.compute`	0.5	completed, but no Step nor Loop in the output
○ skipped	`snap/in.snap.compute.quadratic`	0.5	completed, but no Step nor Loop in the output
○ skipped	`snap/in.snap.grid`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
○ skipped	`snap/in.snap.grid.triclinic`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`snap/in.snap.hybrid.WSNAP.HePair`	2.6
○ skipped	`snap/in.snap.scale.Ni_Zuo_JCPA2020`	3.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✗ failed	`srd/in.srd.mixture`	2.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 800 on (output row 10)
✓ passed	`srd/in.srd.pure`	3.7
✓ passed	`steinhardt/in.bcc`	0.5
✓ passed	`steinhardt/in.fcc`	0.5
✓ passed	`steinhardt/in.icos`	1.6
✓ passed	`streitz/in.ctip`	202.0	the run needs 202 s: a production sized run that should be shortened in the repository
○ skipped	`streitz/in.gan`	1.0	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	57.6	completed, 1 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	74.9	failed, mismatched columns in the log files the run needs 75 s: a production sized run that should be shortened in the repository
✓ passed	`stress_vcm/in.stress_vcm`	19.3
○ skipped	`tad/in.tad`	0.0	skipped, needs a multi-partition run ("tad")
✗ failed	`template/in.hybrid`	6.5	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.mol-data-mix`	17.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`template/in.mol-restart-mix`	40.3
✗ failed	`template/in.molecular-mix`	24.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 190 on (output row 2)
✗ failed	`template/in.template-mix`	24.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 190 on (output row 2)
✗ failed	`template/in.tmpl-data-mix`	16.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✓ passed	`template/in.tmpl-restart-mix`	40.7
✓ passed	`tersoff/in.hBN_shift`	1.2
✓ passed	`tersoff/in.tersoff`	0.9
✓ passed	`threebody/in.mos2-bulk`	0.6
✓ passed	`threebody/in.mos2.rebomos`	16.8
✓ passed	`threebody/in.mos2.sw.mod`	2.2
✓ passed	`threebody/in.threebody`	1.6
✓ passed	`tracker/in.track`	0.7
✓ passed	`triclinic/in.bcc.orthog`	0.5
✓ passed	`triclinic/in.bcc.primitive`	0.6
✓ passed	`triclinic/in.data.general`	0.6
✓ passed	`triclinic/in.fcc.orthog`	0.5
✓ passed	`triclinic/in.fcc.primitive`	0.5
✓ passed	`triclinic/in.hex.orthog`	0.5
✓ passed	`triclinic/in.hex.primitive`	0.5
✓ passed	`triclinic/in.sq2.orthog`	0.5
✓ passed	`triclinic/in.sq2.primitive`	0.5
✓ passed	`ttm/in.ttm`	15.2
✓ passed	`ttm/in.ttm.cascade`	19.0
✓ passed	`ttm/in.ttm.grid`	14.8
✓ passed	`ttm/in.ttm.mod`	5.0
✓ passed	`ttm/in.ttm.thermal`	14.8
✓ passed	`vashishta/in.vashishta.inp`	0.6
✓ passed	`vashishta/in.vashishta.sio2`	1.0
✓ passed	`vashishta/in.vashishta.table.inp`	0.6
✓ passed	`vashishta/in.vashishta.table.sio2`	0.8
○ skipped	`voronoi/in.voronoi`	4.9	completed, but no Step nor Loop in the output
○ skipped	`voronoi/in.voronoi.2d`	0.5	completed, but no Step nor Loop in the output
○ skipped	`voronoi/in.voronoi.data`	0.5	completed, but no Step nor Loop in the output
○ skipped	`wall/in.wall.block`	4.0	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.ccl`	0.8
✓ passed	`wall/in.wall.diffusive`	0.7
✓ passed	`wall/in.wall.flow`	5.1
○ skipped	`wall/in.wall.harmonic.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
○ skipped	`wall/in.wall.harmonic.outside.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.lepton`	0.5
✓ passed	`wall/in.wall.maxwell`	0.7
✓ passed	`wall/in.wall.specular`	0.8
○ skipped	`wall/in.wall.sphere`	3.9	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.table`	0.5
○ skipped	`yaml/in.yaml`	3.2	completed, error parsing log.yaml.1 into YAML