AMBER Archive (2002)

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

From: ramon kleber da rocha (rkrocha_at_lcc.ufmg.br)
Date: Fri Sep 06 2002 - 15:46:43 CDT

        Dear amber users
        I am trying to install amber7 on a linux box with red hat 7.3. I
followed the instructions on INSTALL file and I used the Machine.g77
machine file. The compilation was ok, but doing the benchmarks I got an
error message about sizes of pair list. Reading the manual one can see
that if the compilation is done using DMEM-ALLOC flag the limits in
sizes.h are ignored. So, I tried to compile including that machine flag
but I got another error message when it try to compile sander.f, something
about trajen routine can not be compiled.
        Does anybody has experience on how to compile amber7 in order to
ignore the limits of sizes.h and could give some hints on how to do this?
        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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The World is my Fatherland, Science is my Religion. Christiaan Huygens 1629-1695
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