[CPMD-list] Error on PC-Linux Clusters Compiler

[Teodoro Laino]

Dear Cesar,

The first thing to do is to check whether all the paths in the Makefile
point  to the correct place in your system (just check the mpi library
paths!).

If everythings looks nice then I think your problem involves how MPI was
built on your cluster... that is  what kind of compiler was used to build
mpich-1.2.4 .
The problem is that different fortran compilers, notably g77 (pgf77 too I
checked it on my system just few minutes ago and its behaviour is similar
to g77) and pgf90, have different ways of encoding the subroutine
name "mpi_init" (for example...);  pgf90 produces "mpi_init_", while g77
and pgf77 produce "mpi_init__".   (Note the different amount of appended
underscores.)
You can try :

"nm /mpich/installation/path/on/your/system/libmpich.a | grep mpi_init"

and see how many underscores your library assumes.
If you see just one underscore i.e. "mpi_init_" , than you can try to
compile all your source code with pgf90 compiler (and see what
happens...) instead of mpif77-pgf77 script, in essentially two ways :
1) modifying this script  (mpif77-pgf77) specifing pgf90 as new compiler
2) writing explicitly all the mpi FFLAGS with pgf90 in command line
(The 2 ways are totally equivalent..)

I think that is possible with PGI compilers to switch their underscore
appending style according one or the other fashion.. Have a look for
example in PGI Workstation User's Guide.

Hope this helps
Regards Teo

               ,        ,          %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
              /(        )`                                              %%
              \ \___   / |                                              %%
              /- _  `-/  '                                              %%
             (/\/ \ \   /\             Teodoro Laino                    %%
             / /   | `    \                                             %%
             O O   ) /    |            PhD. in Molecular Biophysics     %%
             `-^--'`<     '            NEST - Physics Labs              %%
            (_.)  _  )   /             Scuola Normale Superiore di Pisa %%
             `.___/`    /              Piazza dei Cavalieri 7           %%
               `-----' /               56100  PISA  (Italy)             %%
  <----.     __ / __   \                                                %%
  <----|====O)))==) \) /====                                            %%
  <----'    `--' `.__,' \              Tel. +39-3299624004 (Mobile)     %%
               |        |              Tel. +39-050-509412 (Office)     %%
                \       /                                               %%
           ______( (_  / \______                                        %%
         ,'  ,-----'   |        \                                       %%
         `--{__________)        \/                                      %%
                                                                        %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%