AMBER Archive (2008)

Subject: Re: AMBER: meet problems in adding ions and waterbox

From: Qiang Li (hi_liqiang_at_yahoo.com)
Date: Wed Apr 02 2008 - 01:12:13 CDT

Are you saying that we can't use PGC for all amber versions? We are also doing some hydrodynamic simulation. My professor wrote the program and he said gcc is not good for our program.

Thank you.

----- Original Message ----
From: David A. Case <case_at_scripps.edu>
To: amber_at_scripps.edu
Sent: Tuesday, April 1, 2008 10:22:52 PM
Subject: Re: AMBER: meet problems in adding ions and waterbox

On Tue, Apr 01, 2008, Qiang Li wrote:

> Sorry, I wasn't meantioned my hardware and amber version last time. We are
> using AMD opteron, and we compile Amber 8 on Redhat Linux Enterprise 4 using
> Portland Group compilers. Is that a problem? We can not use g95 or gcc
> because some of our programs need a AMD opteron.

The Portland Group C compiler is almost certainly the "problem". It is not
clear why you cannot use gcc, however.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

      ____________________________________________________________________________________
You rock. That's why Blockbuster's offering you one month of Blockbuster Total Access, No Cost.
http://tc.deals.yahoo.com/tc/blockbuster/text5.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu