You can download the unsupported noncommercial Intel Fortran
compiler for free. It makes very fast binaries, and can
take advantage of the SSE2 instruction set on P4's. This
can be a huge gain. Also works fine on Athlons. I recommend
anyone compiling Fortran on Linux to use it.
- John
On Fri, 6 Sep 2002, ramon kleber da rocha wrote:
> 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
> 4000000
>
> Max Nonbonded Pairs:10800000
>
>
> Do you know something about that?
> Best regards,
>
>
> ________________________________________________________________________________
> Ramon Kleber da Rocha, MSc. VOICE +55-31-3499-5765
> e-mail rkrocha_at_dedalus.lcc.ufmg.br FAX +55-31-3499-5700
>
> Laboratorio de QSAR e Modelagem Molecular
> Nucleo de Estudos em Quimica Medicinal - NEQUIM - http://www.qui.ufmg.br/~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 - 16:43:12 PDT
