[CPMD-list] IBM Regatta 64 bit compile problem

[Alessandro Curioni]

Hello.

Are you  using 3.7 or 3.7.2 ?

3.7.2 has been tested and is working correctly in 64 bit, both serial and
parallel versions.
 the main reasons to use 64 bit memory addressing is to be able to study
larger systems , So you should use both POINTER8 and MALLOC8  flags.

You should not specify:  -qautodbl=dbl4 -qintsize=8 :  if you use POINTER8
automaticaly all the integer pointers will be defined as integer*8,
whereas std integer will remain integer*4; moreover, recompile  memory.F
and freem.F without optimization flags.

Hope this help.

Regards,




Alessandro CURIONI, PhD
Research Staff Member
Computational Biochemistry and Material Science groupr
IBM Research Division - Zurich Research Laboratory
Saumerstrasse 4
8003 Rueschlikon - Switzerland
e-mail: cur at zurich.ibm.com
www:    www.zurich.ibm.com
Tel: +41-1-7248633
Fax: +41-1-7248958