[Pw_forum] parallel compiling

stargmoon stargmoon at yahoo.com
Mon Sep 18 15:16:42 CEST 2006

Dear Dr.Kohlmeyer,
 Thanks for your reply. 
 I am just one user of our cluster, that is, I am not the system administrator. I do not know the detail of the installation of softwares there. But MPICH was there, and can be launched by "module add".  And I was told that MPICH was installed ourselves, not bundled with the machines.
The command line I used to do "configure" is "./configure MPI_LIBS="-L/opt/mpi/tcp/mpich-pgi/lib -lmpich -lfmpich"
 Could you please give me more hints what I should do to figure out this problem?
 By the way, have you ever used pathscale to compile espresso? It seems to be possible from the update information for espresso3.1.1. We have pathscale and mpich for pathscale work for VASP on our cluster.
Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> wrote: On 9/17/06, stargmoon  wrote:
> Dear pwscf community,
>  I tried to compile Espresso-3.1.1 recently on our PC cluster (AMD64).
> However, after I run ./configure, I am told that "Parallel environment not
> detected". I checked the config.log, since there is no problem in seaching
> for the MPI compilers (mpif90, mpif77 and mpicc), I think it must be the MPI

there are two stages of the search. a) whether the executables exists
and b) whether they can produce working binaries.

> library problem. Therefore, I tried to set "MPI_LIBS" (there is only
> libmpich.a in there) in the ./configure command line, but it did not work

i would have expected a libfmpich.a, too.

> either. Could anybody please tell me what kind of MPI libraries I have to
> point to the "configure" in order to get parallel compilation?

this is impossible to tell, without knowing any details about your system.

what parallel software are you using (it looks like MPICH) and did you
install it yourself or was it bundled with the system? do mpif77 and
mpif90 point to a sufficient fortran

can you compile and run any of the (trivial) MPI example programs
that usually ship with MPI packages, and if yes, please describe the
commandline you use for that. based on that information, we may
be able to help you.

especially on linux machines, there are almost always a few kinks
to be worked out in the installation.


>  Thanks in advance!
>  stargmoon
>  ________________________________
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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