Re: AMBER: Machine environment to install AMBER 8

From: M. Maeda <mmaeda.nias.affrc.go.jp>
Date: Tue, 14 Aug 2007 18:45:53 +0900

Dear Benjamin and Bertrand,

Thanks to your suggestions.
I made config.h file again, following your description.
But both were not effected. (please see the following logs)

I guess the description may be for AMBER 9 package.
I should buy the new version or Intel compiler?

Test package of Intel Fortran compiler is not in our machine now
because the root person is strict about program licence.
If AMBER 8 is not run without Intel Fortran compiler, I should ask
our boss to buy the compiler. Or buy the AMBER 9 package.


Error message is as follows.

1. In the case of "-opteron g95"

-----
[xxxxx src]$ ./configure -opteron g95
AMBERHOME is set to /xxxxx/amber8
Setting up Amber configuration file for architecture: g95
Using parallel communications library: none
Architecture/compiler g95 is not supported (?)

.. continue to the "Usage" line of the next log
-----

2. In the case of "-p4 ifort_x86_64"

-----
[xxxxx src]$ ./configure -p4 ifort_x86_64
AMBERHOME is set to /xxxxx/amber8
Setting up Amber configuration file for architecture: ifort_x86_64
Using parallel communications library: none
Architecture/compiler ifort_x86_64 is not supported (?)

Usage: ./configure [flags] [compiler/architecture]

     where <compiler/architecture> is one of:

         absoft, compaqf90, efc7, hpf90, ifc7, ifort, ia64_ifort,
         pgf90, sgi_altix, sgi_mips, sparc, xlf90_aix, xlf90_suse.

     If not specified then the compiler is guessed.

     Parallel option flags:
       -lam Use LAM/MPI (LAM_HOME must be set)
       -mpi Use native MPI
       -mpich Use MPICH (MPICH_HOME must be set)
       -mplite Use MP_Lite (MPLITE_HOME must be set)
       -nopar Explicit request of no MPI, the default
       -scali Use SCALI (SCALI_HOME must be set)

     Platform option flags:
       -athlon Optimize for Athlon processor (intel,pgf90).
       -gnucompat Add a second underscore to some symbols to maintain
                     GNU compatibility (pgf90).
       -opteron Optimize for Opteron processor (pgf90).
       -p4 Optimize for Pentium 4 processor (intel,pgf90).
       -cygwin Add CygWin flags for Windows (absoft).

     General flags:
       -big Big systems support, ie, 8 byte integers and pointers.
       -fpp_prefix= Define the prefix for FPP preprocessing; default is "_".
       -lmod Request linking sander with Istvan Kolossvary's LMOD libraries.
       -mmtsb Request building sander for MMTSB.
       -static Static linking, i.e., prevent linking with shared libraries.
       -verbose Add verbose compiler comment and warning flags.

     Other environment variables:
       AMBERHOME Root directory of the Amber tree.
       MKL_HOME Root directory of the Intel Math Kernel Library
                      (intel,sgi_altix); for example, /opt/intel/mkl61.
                      The MKL is recommended for optimal performance.

===========================================================
-----


_/_/_/ $B<.ITI,.8!!=yITI,;`(B _/_/_/
_/_/_/ M. MAEDA _/_/_/
_/_/_/ mmaeda.nias.affrc.go.jp _/_/_/



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 15 2007 - 06:07:43 PDT
Custom Search