[CPMD-list] CPMD run on IBM-PPC / Segmentation fault cured

[Pradip Kumar Biswas]

Hi all,

While trying to run CPMD on IBM-PPC with MacOS, I find some segmentation fault 
arising out of the BLAS function ZDOTC. Not being able to fix the problem, I use an 
external routine made for ZDOTC (named differently to distinguish from the blas 
function and linked to the makefile) and  find CPMD running well and reproducing the 
cpmd-test/femd/al001geo.out. Also, for MacOS I find the need to change printing option 
'ps -Fvsz -p'  by 'ps -ovsz -p' in prmem.f

However, it  will be welcome, if the ZDTOC problem is fixed in the original code.

**The configuration module used is slightly different from what I posted in my last 
communication to this list. Earlier it was not including the FFT routines. The change is:

CPPFLAGS='-D__IBM -DFFT_DEFAULT'

Cheers
Pradip.

--
Universidade do Vale do Paraíba - UNIVAP.
http://www.univap.br/