[CPMD-list] New User and Fundamental Questions

[Alessandro Curioni]

Adrian,

    in few days the new version of cpmd will be available and togheter with
more detailed instruction for the installation.

For the moment,   simply go in the source directory, type

1) ./Configure IBM-SP4-SMP  >  Makefile
2)  make

it will compile the program for a p690 with mixed type parallelism
assuming that you have esslsmp library installed in the std. path and
lapack installed in the /usr/local/lapack  path. If the location of the
lapack is different or they have a different name please edit the Makefile
and change it accordingly.

You can find tests example and support programs under the directory contrib
on the distribution server.


Best Regards,
Alessandro

Alessandro CURIONI, PhD
Research Staff Member
Computational Biochemistry and Material Science group
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