[Pw_forum] Debian Platforms and Fortran Compilers

[Paolo Giannozzi]

On Nov 2, 2007, at 21:54 , Paul M. Grant wrote:

> I’ve found it too difficult to go through all the turmoil required  
> to install the Intel compiler on (K)ubuntu 7.10…the install script  
> is incredibly buggy.  So I switched to gfortran, which installs  
> effortlessly and without the additional baggage of “license  
> verification,” and found, at least for my tests (e.g., example07),  
> there are no significant differences in cpu execution times… 
> fractions of seconds over many hours.

gfortran used to be too buggy to be usable, but recent versions seem  
to work fine
and to produce rather fast executables. In conjunction with optimized  
mathematical
libraries, it is becoming interesting for production runs as well.

> Sidebar for the ph.x developers:  It would be neat to be able to  
> set a “suspension” mid-execution flag to be able to resume a long  
> run later (maybe even on another computer).
unfortunately nobody has been working for a long time on the  
optimization and
ease-of-use of the phonon code, and it shows...

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222