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

From: Susan Chacko <susanc.helix.nih.gov>
Date: Tue, 20 Dec 2016 13:45:35 -0500

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 - 11:00:03 PST
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