RE: [AMBER-Developers] PMEMD missing type?

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 9 Mar 2010 12:35:27 -0800

Hi Ben

> However, it seems that others have beaten me to it. Is the general
> feeling that the Intel compilers are just stricter than they were (and
> the code is doing something non-standard), or rather that the compilers
> are themselves broken?

This is almost certainly a compiler bug. As a workaround though could you
try changing the following:

  integer natom, ntypes, nbonh, ntheth, nphih, next, nres, &
!7
                        nbona, ntheta, nphia, numbnd, numang, nptra, nphb, &
!14
                        ifbox, ifcap, nspm, numextra, ncopy, nttyp, &
!20
                        bonda_idx, anglea_idx, diheda_idx, &
!23
                        gbl_bond_allocsize, gbl_angle_allocsize, &
!25
                        gbl_dihed_allocsize, next_mult_fac, &
!27
                        nub, nubtypes, &
!29
                        nimphi, nimprtyp, &
!31
                        gbl_angle_ub_allocsize, gbl_dihed_imp_allocsize,&
!33
                        cmap_term_count, cmap_type_count, &
!35
                        gbl_cmap_allocsize
!36

to

  integer, public :: natom, ntypes, nbonh, ntheth, nphih, next, nres, &
!7
                        nbona, ntheta, nphia, numbnd, numang, nptra, nphb, &
!14
                        ifbox, ifcap, nspm, numextra, ncopy, nttyp, &
!20
                        bonda_idx, anglea_idx, diheda_idx, &
!23
                        gbl_bond_allocsize, gbl_angle_allocsize, &
!25
                        gbl_dihed_allocsize, next_mult_fac, &
!27
                        nub, nubtypes, &
!29
                        nimphi, nimprtyp, &
!31
                        gbl_angle_ub_allocsize, gbl_dihed_imp_allocsize,&
!33
                        cmap_term_count, cmap_type_count, &
!35
                        gbl_cmap_allocsize
!36

and see if this stops the compiler complaining.

All the best
Ross




_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Mar 09 2010 - 13:00:02 PST
Custom Search