Re: compiling amber on a linux box using DMEM-ALLOC

From: ramon kleber da rocha <>
Date: Fri 6 Sep 2002 20:11:55 -0300 (BSC)

On Fri, 6 Sep 2002, Scott Brozell wrote:

> Hello,
> MEM_ALLOC requires the dynamic memory allocation methods of
> Fortran 90. Hence, it is not compatible with g77.
> Either the Intel or Portland Group fortran 90 compilers
> for Linux will support MEM_ALLOC.
> Alternatively, it is straightforward to modify
> sander/sizes.h
> usually
> parameter (MAXPR=8400000)
> is big enough.

        Dear Scott,
        Thank you for your reply. I am looking for a compiler that support
memory allocation methods in order to install amber7. Do you know if any
linux distribution provide that compiler? Besides, I have changed MAXPR to
10800000, but I got another error message when I try to run the benchmark
for rt_polymerase. Thats the message:

     Real Memory requirement of: 9740309 exceeds MAXREA of 4000000

     Hollerith Memory requirement of: 889171 exceeds MAXHOL of 800000

     Static Integer Memory requirement of:10397638 exceeds MAXINT of

     Max Nonbonded Pairs:10800000

        Do you know something about that?
        Best regards,

Ramon Kleber da Rocha, MSc. VOICE +55-31-3499-5765
e-mail FAX +55-31-3499-5700

Laboratorio de QSAR e Modelagem Molecular
Nucleo de Estudos em Quimica Medicinal - NEQUIM -
Departamento de Quimica - Universidade Federal de Minas Gerais - (DQ/ICEx/UFMG)

The World is my Fatherland, Science is my Religion. Christiaan Huygens 1629-1695
Received on Fri Sep 06 2002 - 16:11:55 PDT
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