git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12476 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-09-10 21:05:43 +00:00
parent a266d1b3d0
commit b73b7a8253
6 changed files with 8 additions and 12 deletions

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# 3d Lennard-Jones melt
newton off
package gpu force/neigh 0 1 1
package gpu 1
variable x index 2
variable y index 2

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# 3d Lennard-Jones melt
newton off
package gpu force/neigh 0 1 1 threads_per_atom 8
package gpu 1 tpa 8
variable x index 2
variable y index 2

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# GI-System
units metal
newton off
package gpu force/neigh 0 1 1
package gpu 1
atom_style charge
read_data data.phosphate

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# Rhodopsin model
newton off
package gpu force/neigh 0 1 1
package gpu 1
variable x index 2
variable y index 2

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# cutoff 4.0 with skin 0.8
# NPT, T=2.4, P=8.0
package intel * mixed balance $b
package omp *
package intel 1 prec mixed balance $b
package omp 0
suffix $s
processors * * * grid numa

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# Rhodopsin model
package intel * mixed balance $b
package omp *
package intel 1 prec mixed balance $b
package omp 0
suffix $s
variable x index 4