[Pw_forum] problems with installation

[Axel Kohlmeyer]

On Sat, 9 Feb 2008, igor at ffh.bg.ac.yu wrote:

I?> Hi, all,

hi igor,

I?> I have some problems with installation of QE. First of all 
I?> :/configure is not able to recognize parallel environment unless I 
I?> define

I?> ./configure F77=gfortran F90=gfortran MPIF90=mpif90

that means, that your mpif90 is most likely using a compiler
different from gfortran as underlying fortran 90 compiler.

I?> but when I run 
I?> 
I?> make all 
I?> 
I?> it returns 
I?> 
I?> startup.f90:(.text+0x554): undefined reference to `iargc_'
I?> startup.f90:(.text+0x6b2): undefined reference to `iargc_'
I?> collect2: ld returned 1 exit status

and this confirms this suspicion. different fortran compilers
have different ways to detect command line arguments (and other
stuff). all fortran parts of QE have to be compiler with compatible
compilers.

I?> make[1]: *** [pw.x] Error 1
I?> make[1]: Leaving directory `/quantumespresso/espresso-3.2.2/PW'
I?> make: *** [pw] Error 2
I?> [root at xeon espresso-3.2.2]# 
I?> 
I?> This is problem with versions 3.1.1, 3.2.2 and 3.2.3. But when I define

this is independent of the QE version. after QE has been around for
so long and so many people have managed to compile and installed
it regularly, it is safe to assume, that problems are usually 
within the machine that you want to compile it on. over the years
there have been a lot of attempts to make the configure process
smarter, but that works only to a certain degree. there are simply
too many quirky installations around, particularly linux machines.

I?> ./configure F77=gfortran F90=gfortran
I?> compilation is possible for 3.1.1 in serial version.

yes. because the compilers are compatible. as it is not
version dependent, please always use the latest version.

I?> (My operative system is Centos 5.1, I have 2 Intel Xeon processors).
I?> If anybody faced similar problems and managed to solve them I would really 
I?> appreciate help.

here's a number of things, that you can do yourself:

you can have a closer look at output produced by configure.
that should give you some hint on whether the parallel 
environment is detected or not. and you can look into the
resulting config.log for a more detailed log (search for mpi_init).
you can check your mpi installation (try 'mpif90 -v' or 
'mpif90 -showme') to see what compiler you have "within" mpif90. 
you can try compiling and running a simple standalone mpi program.

finally, please respect the policy of this forum 
and append your full name and affiliation. thanks.

cheers,
   axel.



I?> Thanks
I?> 
I?> Igor
I?> 
I?> 
I?> 
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I?> 

-- 
=======================================================================
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
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.