From 1ab449a2d9d4433794736566014f5c311d5a9317 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 08 Mar 2014 16:33:08 +0000 Subject: [PATCH] tape fixed, output has additional timestamp, ncurrent iteration is dumped and reread, but simulation is not restarted at correct time --- src/tape | 43 ++++++++++++++++++++++++++++++++++++------- 1 files changed, 36 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 26b4d44..59b417a 100644 --- a/src/tape +++ b/src/tape @@ -1,13 +1,26 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=20 -# dmax is the square of the bond length -dmax=1.67 -# bending rigidity of the membrane +nshell=17 +# dmax is the max. bond length (in units l_min) +dmax=1.7 +# bending rigidity of the membrane (in units kT) xk0=25.0 -# max step size +# max step size (in units l_min) stepsize=0.15 +# Pressure calculations +# (pswitch=1: calc. p*dV energy contribution) +pswitch = 0 +# pressure difference: p_inside - p_outside (in units l_min^3/kT): +pressure=0.0 + +####### Polymer definitions ########### +# npoly is a number of polymers attached to npoly distinct vertices on vesicle +npoly=20 +# nmono is a number of monomers in each polymer +nmono=10 +# Spring constant between monomers of the polymer +k_spring=800 ####### Cell definitions ############ nxmax=60 @@ -16,8 +29,24 @@ ####### Program Control ############ -#how many iteration are there in a run? -iterations=20000 +#how many MC sweeps between subsequent records of states to disk +mcsweeps=500 +#how many initial mcsweeps*inititer MC sweeps before recording to disk? +inititer=1 +#how many records do you want on the disk iteration are there in a run? +iterations=10 + #shut up if we are using cluster!!! quiet=false + +#what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) +#currently only none makes sense. +multiprocessing=none +#how many cores are allowed to process in SMP? +smp_cores=2 +#how many nodes in cluster? +cluster_nodes=50 +#max number of processes in distributed (voluntary) environment +distributed_processes=50 +#cuda options??? -- Gitblit v1.9.3