AMBER Archive (2006)

Subject: Re: AMBER: nmode memory problem

From: William Wei (william.wei_at_utoronto.ca)
Date: Thu Aug 24 2006 - 12:04:59 CDT

Dear Knut,

Thank you for your information. As from my output of compiling, seems I am
using F90:
f90-1453 f90: ERROR NMODE, file-_nmode_.f, Line=51, Column=14
  The storage size needed for "X" exceeds 268,435,455 bytes, the maximum
storage size available.

Does F90 have the same problem?

Thank you again,
William
----- Original Message -----
From: "Knut Langsestmo" <knut_at_bbri.org>
To: <amber_at_scripps.edu>; "William Wei" <william.wei_at_utoronto.ca>
Sent: Thursday, August 24, 2006 12:17 PM
Subject: Re: AMBER: nmode memory problem

> my understanding is that f77 only supports 32 bit memory address space,
> which means you are limited to somewhat less than 2.7 gb.
>
> to change this would mean a rewrite of the nmode code, to take advantage
> of dynamic memory allocation -- something there hasn't been an
> interest in
> doing because people are using newer methods for normal mode
> calculation.
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

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