AMBER Archive (2009)

Subject: Re: [AMBER] linux version for Amber10

From: Sudeep Narayan Banerjee (sudeep_at_bose.res.in)
Date: Sat Nov 07 2009 - 20:56:19 CST

Dear All,

     I have installed amber10 in CentOS, compiled with gfortran. I ran the
test file and the results were OK. Is it necessary to compile with g95
compiler once again? 

--
Best Regards,
Sudeep Narayan Banerjee
Junior Computer Engineer
S N Bose National Centre for Basic Sciences
Block JD, Sector III, Saltlake City,
Kolkata 700098
Email: sudeep_at_bose.res.in

---------- Original Message -----------
From: Peter Schmidtke <pschmidtke_at_mmb.pcb.ub.es>
To: AMBER Mailing List <amber_at_ambermd.org>
Sent: Sat, 07 Nov 2009 16:58:18 +0100
Subject: Re: [AMBER] linux version for Amber10

> I have seen running Amber10 in different distributions, so for 
> example openSuse 11.1 64 bit, Ubuntu, FC, Centos.
> 
> What is the nature of your problem? Did you try to compile sander 
> etc with the ifort compiler from Intel? We noticed a huge increase 
> in calculation performance compared to gfortran the compiler.
> 
> Best regards.
> 
> Peter
> 
> On Sat, 07 Nov 2009 07:28:05 -0800, liangchen88_at_ucla.edu wrote:
> > What is the best version of linux for Amber10?
> > my running process of Amber10 always has some problem,I guess it may  
> > have relationship with the linux system we are using.
> > 
> > _______________________________________________
> > AMBER mailing list
> > AMBER_at_ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> 
> --
> 
> Peter Schmidtke
> 
> ----------------------
> PhD Student at the Molecular Modeling and Bioinformatics Group
> Dep. Physical Chemistry
> Faculty of Pharmacy
> University of Barcelona
> 
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
------- End of Original Message -------

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber