From 6fc8ed2a10db3c8f0d9f721bd22ede99d00347f9 Mon Sep 17 00:00:00 2001 From: Tim Moore Date: Wed, 13 Sep 2023 14:15:08 -0400 Subject: [PATCH] Update simple_polygon_analysis --- dashboard.py | 3 ++- hoomd_validation/simple_polygon.py | 12 +++++------- 2 files changed, 7 insertions(+), 8 deletions(-) diff --git a/dashboard.py b/dashboard.py index bce52614..ab309f7b 100644 --- a/dashboard.py +++ b/dashboard.py @@ -31,7 +31,8 @@ def job_title(self, job): return f"alj_2d: kT={job.statepoint.kT}, " \ f"rho={job.statepoint.density}" elif (job.statepoint.subproject == 'hard_disk' - or job.statepoint.subproject == 'hard_sphere'): + or job.statepoint.subproject == 'hard_sphere' + or job.statepoint.subproject == 'simple_polygon'): return f"{job.statepoint.subproject}: rho={job.statepoint.density}" else: raise RuntimeError("Unexpected job") diff --git a/hoomd_validation/simple_polygon.py b/hoomd_validation/simple_polygon.py index 8a2c7869..e768af17 100644 --- a/hoomd_validation/simple_polygon.py +++ b/hoomd_validation/simple_polygon.py @@ -594,13 +594,11 @@ def simple_polygon_compare_modes(*jobs): print('starting simple_polygon_compare_modes:', jobs[0]) - sim_modes = [ - 'nvt_cpu', - 'npt_cpu', - ] - - if os.path.exists(jobs[0].fn('nvt_gpu_quantities.gsd')): - sim_modes.extend(['nvt_gpu']) + sim_modes = [] + for _ensemble in ['nvt', 'npt']: + for _device in ['cpu', 'gpu']: + if jobs[0].isfile(f'{_ensemble}_{_device}_quantities.gsd'): + sim_modes.append(f'{_ensemble}_{_device}') util._sort_sim_modes(sim_modes)