From b58baf2f284f76d364dbfaec7b2bd5eb24bc98b6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 17 Aug 2011 14:24:19 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6699 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/gpu/in.melt_2.5.gpu | 2 +- examples/gpu/in.melt_5.0.gpu | 2 +- examples/gpu/in.phosphate.gpu | 4 ++-- examples/gpu/in.rhodo.gpu | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) diff --git a/examples/gpu/in.melt_2.5.gpu b/examples/gpu/in.melt_2.5.gpu index f6d03c241c..190937838f 100644 --- a/examples/gpu/in.melt_2.5.gpu +++ b/examples/gpu/in.melt_2.5.gpu @@ -1,6 +1,7 @@ # 3d Lennard-Jones melt newton off +package gpu force/neigh 0 1 1 variable x index 2 variable y index 2 @@ -27,7 +28,6 @@ pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 20 check no -fix 0 all gpu force/neigh 0 1 1 fix 1 all nve thermo 100 diff --git a/examples/gpu/in.melt_5.0.gpu b/examples/gpu/in.melt_5.0.gpu index 6ded5ccd7a..ac244006db 100644 --- a/examples/gpu/in.melt_5.0.gpu +++ b/examples/gpu/in.melt_5.0.gpu @@ -1,6 +1,7 @@ # 3d Lennard-Jones melt newton off +package gpu force/neigh 0 1 1 threadsi_per_atom 8 variable x index 2 variable y index 2 @@ -27,7 +28,6 @@ pair_coeff 1 1 1.0 1.0 5.0 neighbor 0.3 bin neigh_modify delay 0 every 20 check no -fix 0 all gpu force/neigh 0 1 1 threadsi_per_atom 8 fix 1 all nve thermo 100 diff --git a/examples/gpu/in.phosphate.gpu b/examples/gpu/in.phosphate.gpu index 5fa7df69bf..543c77fb37 100644 --- a/examples/gpu/in.phosphate.gpu +++ b/examples/gpu/in.phosphate.gpu @@ -2,6 +2,8 @@ units metal newton off +package gpu force/neigh 0 1 1 + atom_style charge read_data data.phosphate @@ -25,8 +27,6 @@ thermo 100 timestep 0.001 -fix 0 all gpu force/neigh 0 1 1 - fix 1 all npt temp 400 400 0.01 iso 1000.0 1000.0 1.0 run 1000 unfix 1 diff --git a/examples/gpu/in.rhodo.gpu b/examples/gpu/in.rhodo.gpu index 4f0a629c03..58d3be0ca3 100644 --- a/examples/gpu/in.rhodo.gpu +++ b/examples/gpu/in.rhodo.gpu @@ -1,6 +1,7 @@ # Rhodopsin model newton off +package gpu force/neigh 0 1 1 variable x index 2 variable y index 2 @@ -23,7 +24,6 @@ read_data data.rhodo replicate $x $y $z -fix 0 all gpu force/neigh 0 1 1 fix 1 all shake 0.0001 5 0 m 1.0 a 232 fix 2 all npt temp 300.0 300.0 100.0 & z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1