From a55728fa7486949798b0e9afaa376f0536c3b57a Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 2 Dec 2011 15:47:54 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7274 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/gpu/in.melt_5.0.gpu | 2 +- examples/gpu/in.phosphate.gpu | 3 +-- examples/gpu/in.rhodo.gpu | 3 +-- 3 files changed, 3 insertions(+), 5 deletions(-) diff --git a/examples/gpu/in.melt_5.0.gpu b/examples/gpu/in.melt_5.0.gpu index ac244006db..1f1057a769 100644 --- a/examples/gpu/in.melt_5.0.gpu +++ b/examples/gpu/in.melt_5.0.gpu @@ -1,7 +1,7 @@ # 3d Lennard-Jones melt newton off -package gpu force/neigh 0 1 1 threadsi_per_atom 8 +package gpu force/neigh 0 1 1 threads_per_atom 8 variable x index 2 variable y index 2 diff --git a/examples/gpu/in.phosphate.gpu b/examples/gpu/in.phosphate.gpu index 543c77fb37..00533e16cb 100644 --- a/examples/gpu/in.phosphate.gpu +++ b/examples/gpu/in.phosphate.gpu @@ -18,8 +18,7 @@ pair_coeff 2 2 0.0 0.29 pair_coeff 2 3 0.004251 1.91988674 pair_coeff 3 3 0.012185 2.91706967 -kspace_style pppm/gpu/single 1e-5 -#kspace_style pppm/gpu/double 1e-5 +kspace_style pppm/gpu 1e-5 neighbor 2.0 bin diff --git a/examples/gpu/in.rhodo.gpu b/examples/gpu/in.rhodo.gpu index 58d3be0ca3..cc26832253 100644 --- a/examples/gpu/in.rhodo.gpu +++ b/examples/gpu/in.rhodo.gpu @@ -17,8 +17,7 @@ dihedral_style charmm improper_style harmonic pair_style lj/charmm/coul/long/gpu 8.0 10.0 pair_modify mix arithmetic -kspace_style pppm/gpu/single 1e-4 -kspace_style pppm/gpu/double 1e-4 +kspace_style pppm/gpu 1e-4 read_data data.rhodo