AMBER Archive (2008)

Subject: Re: AMBER: A problem of installing Amber10

From: Harry Ni (edycni_at_gmail.com)
Date: Thu Jun 05 2008 - 13:27:23 CDT

Thanks David,

This is the information of the my ifort:

Intel(R) Fortran Compiler for 32-bit applications, Version 9.1 Build
20070215Z Package ID: l_fc_c_9.1.043
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY

Also, I have tried to put -nobintraj as an argument to configure_amber, but
there are some new errors:

With many 'undefined reference to' sentences before, such as
"_qm2_dftb_fermi.f:(.text+0xcdc): undefined reference to `vmldExp2' ",
it is said in the end:
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/usr/local/amber10/src/sander'
make: *** [serial] Error 2

On Thu, Jun 5, 2008 at 1:49 PM, David A. Case <case_at_scripps.edu> wrote:

> On Thu, Jun 05, 2008, Yicun Ni wrote:
> >
> > I get a problem when installing Amber10. The CPU is AMD 64 athlon x2 and
> the
> > OS is Federal 7 64-bit.
> > I use ' ./configure_amber -static ifort' to choose the compiler and
> execute
> > the ifortvars.sh. But after compiling in 'make' step, such errors appear:
>
> Which ifort are you using (e.g. what does "ifort -V" report?
>
> >
> > In file included from fort-attio.c:7:
> > ncfortran.h:26:42: error: NF_INT_IS_C_... not defined: No such file or
> > directory
>
> The workaround is to put -nobintraj as an argument to configure_amber.
> This
> will skip building the netcdf support.
>
> ...dac
>
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