Re: [AMBER] problem building Amber 16 with Intel compilers

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 20 Dec 2016 13:50:57 -0500

uhm,

last shot, how's about: export
LD_LIBRARY_PATH=$AMBERHOME/lib:$LD_LIBRARY_PATH
before doing configure?

Hai

On Tue, Dec 20, 2016 at 1:45 PM, Susan Chacko <susanc.helix.nih.gov> wrote:

> On 12/20/16 12:21 PM, Hai Nguyen wrote:
> > hi, I am running out of ideas here and let others to jump in. (I have
> never
> > used intel compiler, so ... :D)
> >
> > PS: may be trying to compile netcdf c and fortran by yourself and use
> > --with-netcdf flag?
> >
> > Hai
>
> As far as I can see, the netcdf-fortran library did get built; I see a
> full set of netcdf library files (i.e. same ones as appear in my
> successful gnu build) in amber16/lib directory.
>
> -rw-r--r-- 1 susanc staff 1223828 Dec 20 11:23 libnetcdf.a
> -rw-r--r-- 1 susanc staff 744888 Dec 20 13:05 libnetcdff.a
> -rwxr-xr-x 1 susanc staff 1045 Dec 20 13:05 libnetcdff.la
> lrwxrwxrwx 1 susanc staff 19 Dec 20 13:05 libnetcdff.so ->
> libnetcdff.so.5.3.1
> lrwxrwxrwx 1 susanc staff 19 Dec 20 13:05 libnetcdff.so.5 ->
> libnetcdff.so.5.3.1
> -rwxr-xr-x 1 susanc staff 1157904 Dec 20 13:05 libnetcdff.so.5.3.1
> -rwxr-xr-x 1 susanc staff 954 Dec 20 11:23 libnetcdf.la
> lrwxrwxrwx 1 susanc staff 18 Dec 20 11:23 libnetcdf.so ->
> libnetcdf.so.7.2.0
> lrwxrwxrwx 1 susanc staff 18 Dec 20 11:23 libnetcdf.so.7 ->
> libnetcdf.so.7.2.0
> -rwxr-xr-x 1 susanc staff 1067579 Dec 20 11:23 libnetcdf.so.7.2.0
> drwxr-sr-x 2 susanc staff 4096 Dec 20 13:05 pkgconfig
>
> Anyway, I tried building it manually, and it seems to be successful. The
> 'make install' ends with:
> +-------------------------------------------------------------+
> | Congratulations! You have successfully installed the netCDF |
> | Fortran libraries. |
>
>
> % ./nf-config --all
>
> This netCDF-Fortran 4.2 has been built with the following features:
>
> --cc -> /usr/local/intel/composer_xe_2015.1.133/bin/intel64/icc
> --cflags -> -I/usr/local/apps/amber/amber16/include
> -I/usr/local/apps/amber/amber16/include
> --libs -> -L/usr/local/apps/amber/amber16/lib
> -L/usr/local/apps/amber/amber16/lib -shared-intel -lnetcdf -lnetcdff
> -lnetcdf
>
> --fc -> /usr/local/intel/composer_xe_
> 2015.1.133/bin/intel64/ifort
> --fflags -> -fPIC -ip -O3 -xHost
> -I/usr/local/apps/amber/amber16/include
> --flibs -> -L/usr/local/apps/amber/amber16/lib -lnetcdff
> -L/usr/local/apps/amber/amber16/lib -shared-intel -lnetcdf -lnetcdff
> -lnetcdf
> --has-f90 -> yes
>
> --has-nc2 -> yes
> --has-nc4 -> no
>
> --prefix -> /usr/local/apps/amber/amber16
> --includedir-> /usr/local/apps/amber/amber16/include
> --version -> netCDF-Fortran 4.2
>
>
> But then, when I go back to the top level of amber16, and type
>
> ./configure --with-netcdf /usr/local/apps/amber/amber16/ intel
>
> I still get the same flurry of 'undefined reference' errors.
>
> Susan.
>
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Received on Tue Dec 20 2016 - 11:00:04 PST
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