AMBER Archive (2009)

Subject: Re: [AMBER] amber9 installation problem in SMP IA64

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri Feb 06 2009 - 07:25:55 CST

On Thu, Feb 05, 2009, Vijay Manickam Achari wrote:
>
> Here I have posted a problem which I encounter during installation of amber9
>
> prob in SMP (128cores IA64) for amber9 installation:
> ../configure -lam -verbose -mmtsb -bintraj gfortran
> then edit the config.h and changed gfortran to hf77 or mpif77

This sounds pretty dangerous. The configure script does a netcdf
configuration using gfortran as the compiler, and when you later change
the compiler, you could end up with incompatible naming schemes.

Things to try: first, remove the -bintraj file, and make sure that
everything else is OK. Second, with the -bintraj file back there
(*assuming* that you feel you need this option!) use "nm" to examine the
symbols in $AMBERHOME/src/netcdf/lib/libnetcdf.a: it's likely that they
have more or fewer underscores than in the error messages, and you can
try to piece things together from that. Or, just try to re-configure
netcdf with the compiler you really intend to use.

...dac

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