Hi Qiao,
it looks great, can you send me a copy of the related files,
I want to try it.
Wei Zhang
On Thu, 2005-11-03 at 02:40 +0800, Xuebin Qiao wrote:
> The framework of auto* configuration for Amber8 has been settle down
> and the serial version demo code tested successfully.
>
> Code mature stage list:
> 1. configure workflow design. (done)
> 1. detect canonical OS name supported by amber (done, except altix)
> 2. detect c/c++/f90 compiler name (done)
> 3. detect fortran common features, including freeform, preprocessing,
> main func name, name mangleing style. (done)
> 4. detect ext/int blas, lapack, arpack library (almost done)
> 5. detect mpi library (partially done, untested)
> 6. pmemd left untouched.
>
> To flavor the needs of full optimization control, there are two design
> ideas.
> 1. most compiler options can be manully specified, e.g.
> environment variable: CC, CFLAGS, FC, FCLIBS
> command line options: --enable-xleap --enable-lmod
> package options: --with-ext-blas, --with-ext-lapack
>
> 2. Like NAMD, pmemd, configure script can create a arch specific
> compiler option files by --enable-paranoid-conf, such as arch/freebsd-
> g95-cc-nopar.base. User can modify it at will and then run configure
> again.
> e.g:
> #
> # Adjustable compiler options for arch/freebsd-g95-cc-nopar.base
> # If do not want to adjust specific option, just leave it blank
> #
> # Fortran90 compiler options
> FCFLAGS=-g -O2
> FCFLAG_FREEFORM=-ffree-form
> FCFLAG_FPP=-cpp
> FCLIBS=-L/usr/local/g95-install/bin/../lib/gcc-lib/i386-unknown-
> freebsd5.4/4.0.1/-L/usr/local/g95-install/bin/../lib/gcc-lib/i386-
> unknown-freebsd5.4/4.0.1 -L/lib// -L/usr/local/g95-
> install/bin/../lib/gcc-lib/i386-unknown-freebsd5.4/4.0.1/// -
> L/usr/lib// -lf95 -lm
> # C compiler options
> CFLAGS=-g -O2
> LDFLAGS= -L/usr/local/lib -lblas
> ALTCFLAGS=
> # C++ compiler options
> CXXFLAGS=-g -O2
> CXXLDFLAGS=
>
> Todo:
> 1. finish MPI detection code.
> 2. add benchmark and test integration
> 3. add workarounds to mimic current install layout.
> 4. polish the code to complate replicate original configure script
> functions.
> 5. specific CPU detection, such as p4, athlon
>
--
Wei Zhang <zweig.scripps.edu>
The Scripps Research Institute
Received on Wed Apr 05 2006 - 23:49:51 PDT
