[Octopus-users] succesfully compiled octopus on our new sgi altix
Mon, 16 Feb 2004 10:18:21 -0500
As the title says, I succesfully compiled the program on an sgi altix (128
processors) at the university of montreal. the os is linux.
changes to the code I had to make for the intel fortran compiler 7 to work (we
have some librairies issues ....errr problems with the new compiler):
In mf_inc.F90, h_inc.F90 and states_inc.F90:
added type definition for R_DOT and R_NRM2
added double complex :: zdotc
added <stdlib> in header.
Now...static test on benzene and Na Na2 are done. Any other input and output to
test are welcome.
In particular, as I am learning the code, I would like to have an input for the
time dependent calculation of benzene that should give me the optical
adsorption (Fig 2) in the CPC paper.