AMBER Archive (2002)

Subject: compiling amber 7 with Intel Fortran Compiler 6.0 (fwd)

From: John Bushnell (bushnell_at_chem.ucsb.edu)
Date: Wed Sep 25 2002 - 15:10:50 CDT

We have compiled amber 7 using the following flags for
high optimization (L3) in the MACHINE file:

For P4:

-O2 -tpp7 -align -Zp8 -axW -ipo -ipo_obj -unroll

For Athlon:

-O3 -tpp6 -align -Zp8 -axiM -ipo -ipo_obj -unroll

I just stripped these from an unrelated makefile that
I came across and they seem to work fine. I haven't
fooled around with these much, but we haven't had any
noticable problems, and the test outputs looked good.
I should note that we have only been using sander,
and antechamber a little, but the other tests looked OK.

       - John

PS: this is with version 6.0 of ifc.

---------- Forwarded message ----------
Date: Wed, 25 Sep 2002 16:23:21 -0300 (BSC)
From: ramon kleber da rocha <rkrocha_at_lcc.ufmg.br>
To: Amber Mailing List <amber_at_heimdal.compchem.ucsf.edu>
Subject: compiling amber 7 with Intel Fortran Compiler 6.0

        Dear all,
        I have been trying to compile amber 7 using IFC 6.0. I tried to
modify Machine.ifc file in order to get advantage from the SSE2, that
gives faster binaries. To do so, I included the flags "-tpp7 -xW" into the
MACHINEFLAGS variable, but when the compilation starts I got a message
stating that the new flags are not recognized.
        Could you please, tell me how modify properly the machine file or
send me a copy of any machine file that works with those flags.
        Thank you in advance.

________________________________________________________________________________
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) 

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