RE: AMBER: question about parallel simulation

From: <qlu.notes.cc.sunysb.edu>
Date: Wed, 1 Dec 2004 18:38:01 -0500
I did the following changes. I know I changed too much in order to perform the simulation. If you can give me any hint, that would be helpful for me to debug the parallel code. Thank you in advance.

Qiang

< go model
> original


<       rad(1000),wel(1000),radhb(1000),welhb(1000)
---
>       rad(100),wel(100),radhb(200),welhb(200)

<    parameter (maxigr=500)
---
>    parameter (maxigr=200)

< parameter (extraboxdim=50.d0)
---
> parameter (extraboxdim=30.d0)

< _REAL_ rk(40000),req(40000),tk(7000),teq(7000),pk(10000), &
<       pn(1200),phase(1200),cn1(40000),cn2(40000),solty(1000), &
<       gamc(1000),gams(1000),fmn(1000), &
<       asol(40000),bsol(40000),hbcut(40000)
---
> _REAL_ rk(5000),req(5000),tk(900),teq(900),pk(1200), &
>       pn(1200),phase(1200),cn1(1830),cn2(1830),solty(60), &
>       gamc(1200),gams(1200),fmn(1200), &
>       asol(200),bsol(200),hbcut(200)

<          nphb > 40000 .or. natyp > 500 .or. nttyp > 40000) then
---
>          nphb > 200 .or. natyp > 60 .or. nttyp > 1830) then

< common/p14/ cn114(40000),cn214(40000)
< common/ub/rkub(40000),rub(40000)
---
> common/p14/ cn114(1830),cn214(1830)
> common/ub/rkub(900),rub(900)

<    parameter (maxpr = 10000000)
---
>    parameter (maxpr = 5000)
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