[Pw_forum] Compiling PWscf

Gil Speyer speyer at asu.edu
Thu Jan 22 19:23:25 CET 2004


I am trying to install PWscf software for our molecular electronics
group at Arizona State University.  First off, the installation
procedure seems to work almost perfectly for us.  

The intel fortran compiler (ifc) seems to compile most things alright,
just 3 routines seem to have a problem:

read_cards.f90 and vcsmd.f90:
If I change a broken line in each of these (linked to the next line with
"&", read_cards.f90:444 and vcsmd.f90:177) to one continuous line, it

In the subroutine "update_inverse_hessian" the last line will not
compile.  More specifically, the last "chunk" of the last line won't
compile, even if I separate it into its own line. 
The subroutine "lbfgs_update" will not compile unless I change the line:

      alpha(i) = ( s(:,i) .dot. bfgs_step(:) ) / sdoty(i)        

      alpha(i) = ( s(:,i) .dot. bfgs_step ) / sdoty(i)

The only routine of concern is the update_inverse_hessian routine which
I cannot get to compile properly.  If I comment out the last section of
the problematic line, everything compiles and runs.  
Have there been similar problems with these routines?  Any assistance
here would be appreciated.

Gil Speyer
Graduate Student
Electrical Engineering
Arizona State University

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