-
Notifications
You must be signed in to change notification settings - Fork 7
Description
Hi, I am running the run.py example, using the version of https://github.com/sottcap/PSE.git.
It raise the error as following.
I use the environment of docker images in glotzerlab/software:2018.07-cuda8-mlx-openmpi3.0.0
with cuda 9.2 , LAPACKE 3.6.1, CBLAS 3.6.1 installed.
================================================
root@cfe39a79a87a:/PSE_sott/examples# python run.py
HOOMD-blue 2.3.3 CUDA (9.2) DOUBLE HPMC_MIXED MPI SSE SSE2 SSE3 SSE4_1 SSE4_2 AVX AVX2
Compiled: 10/10/22
Copyright 2009-2018 The Regents of the University of Michigan.
You are using HOOMD-blue. Please cite the following:
- J A Anderson, C D Lorenz, and A Travesset. "General purpose molecular dynamics
simulations fully implemented on graphics processing units", Journal of
Computational Physics 227 (2008) 5342--5359 - J Glaser, T D Nguyen, J A Anderson, P Liu, F Spiga, J A Millan, D C Morse, and
S C Glotzer. "Strong scaling of general-purpose molecular dynamics simulations
on GPUs", Computer Physics Communications 192 (2015) 97--107
notice(2): This system is not compute exclusive, using local rank to select GPUs
notice(2): Unable to identify node local rank information
notice(2): Using global rank to select GPUs
HOOMD-blue is running on the following GPU(s):
[0]NVIDIA GeForce GTX 1650 14 SM_7.5 @ 1.51 GHz, 4095 MiB DRAM, DIS
run.py:034 | hoomd.init.create_lattice(unitcell=hoomd.lattice.sc(a=a),n=n)
run.py:034 | hoomd.init.create_lattice(unitcell=hoomd.lattice.sc(a=a),n=n)
notice(2): Group "all" created containing 6859 particles
run.py:053 | hoomd.md.integrate.mode_standard(dt=dt)
run.py:054 | pse = hoomd.PSEv1.integrate.PSEv1( group = hoomd.group.all(), T = 1.0, xi = 0.5, error = 1E-3, function_form = function_form )
run.py:054 | pse = hoomd.PSEv1.integrate.PSEv1( group = hoomd.group.all(), T = 1.0, xi = 0.5, error = 1E-3, function_form = function_form )
notice(2): -- Neighborlist exclusion statistics -- :
notice(2): Particles with 0 exclusions : 6859
notice(2): Neighbors included by diameter : no
notice(2): Neighbors excluded when in the same body: no
notice(2): --- NUFFT Hydrodynamics Statistics ---
notice(2): Mx: 40
notice(2): My: 40
notice(2): Mz: 40
notice(2): rcut: 5.25652
notice(2): Points per radius (x,y,z): 1, 1, 1
notice(2): --- Gaussian Spreading Parameters ---
notice(2): gauss_m: 4.22
notice(2): gauss_P: 6
notice(2): gauss_eta: 0.505379
notice(2): gauss_w: 3
notice(2): gauss_gridh (x,y,z): 1, 1, 1
run.py:057 | hoomd.run( 10e3 )
** starting run **
GPUassert: linear filtering not supported for non-float type /PSE/PSEv1/Stokes.cu 358