[Pw_forum] ANY Promising Compiler and OS for running QE 5.0 TESTS and Examples?

[Lorenzo Paulatto]

On Tue, Jun 26, 2012 at 11:24 AM, Roozbeh Sanaei <roozbehsanaei at yahoo.com>wrote:

> Hi Everybody,
> So far, I have tried many compilers and configurations , QE were Compiled
> successfully each time, but after compilation, many examples and both
> tests in PW and CPV directories failed.
>
> Could you please provide me ANY promising Configuration
> (Compiler,Prerequisites, OS) which is known already to work well  with QE
> 5.0. and provided examples and  tests and examples can run without
> segmentation fault.
>

Dear Roozbeh,
there are many such configurations. In particular almost every intel
compiler (except a.f.a.i.k 12.0.0, and 11.0.0) and mkl libraries; the most
recent gfortran versions, every g95 version (albeit, slowly); almost every
ibm compiler version and relative essl libraries (sometiems after editing
the make.sys a bit); a few and well apart versions of the sun/oracle
compiler; the official very expensive releases of the pathscale compiler
(the freely available "snapshot" are just crap); the amd supported open64
compiler...

I think your problem (from the previous email) is somewhere in your
configuration. For example, you should not compile QE as root. Unluckily
there is very little we can do to help you, as you did not provide any
information of the error you get (i.e. attach the entire output file instad
of just pasting one line) and you omit the exact version of the ifort
compiler.

As you are getting the same errors with the ifort and gfortran
configuration I can *guess* that the error may be something trivial, e.g.
the pseudopotentials not being downloaded correctly. But please, send us
the complete output of the relative errors to would be make it much easier
to find out. The outputs are in the result/ subdirectory for the examples;
for test XXX the output is written in a file called XXX.out in the same
directory.

bests regards, and good work


-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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