Re: AMBER: Machine environment to install AMBER 8

From: Benjamin Juhl <itbbju.itb.uni-stuttgart.de>
Date: Tue, 14 Aug 2007 12:49:13 +0200

Sorry, i oversaw that you are trying to compile amber 8 and not amber9.
What i told you was supposed to work with amber9.
There seem to have been some problems with g95 and amber8 in the past
(http://amber.ch.ic.ac.uk/dev_archive/200511/0099.html), but i do not
know if those were resolved.

Benjamin


M. Maeda schrieb:
> 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
>

-----------------------------------------------------------------------
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 - 06:07:46 PDT
Custom Search