I can second that bit about the Athlons, I've been very
happy running Sander7 with Intel Fortran and mpich on dual
Athlons.
jim
On Fri, 6 Sep 2002, John Bushnell wrote:
>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
>> ________________________________________________________________________________
>>
>
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Received on Fri Sep 06 2002 - 17:56:42 PDT
