The ABINIT Users Mailing List ( CLOSED )

[Aldo Humberto Romero <ahromero@bethe.fis.puc.cl>]

Dear Abinit users,

few weeks ago I have asked on how to compile Abinit on a Cray T3E.
After a different number of trials I have been able to compile it.

The solution was:

1) There is a problem with nested do loops in the new Cray compiler,
therefore
you should compile with the old version... at least in the machine
I have accesss it is enough to do:

module swap PrgEnv PrgEnv.34

2) Some of the varibles are used as double precision but they have
a problem in the cray because thius is a 64 bits machine. A simple
solution it is to change the calls "data type" descriptors from the "Z" to
"C" for the
complex type calls, and the "D" to "S" for the dgetrf and dgetri calls.
This should be relatively easy to do.  Just go to the directories
Src_1util and
Lib_numrecip, grep for the calls in the fortran files, and change the
all statements.

Besides that, everything works fine...

Thanks for the people that adviced me and I hope this helps..

Greetings from Mexico

-aldo.

-------------------------------------------------------------------------
Dr. Aldo Humberto Romero            
IPICyT
Advanced Materials Department
Av. Venustiano Carranza 2425-A,
78270 San Luis Potosi, SLP, Mexico

email:  aldo@ipicyt.edu.mx
Phone:  (52)-444-8-33-54-11
Fax:    (52)-444-8-33-54-12
http://www.ipicyt.edu.mx/