UT theoretical chemistry code forum

Hello,

Trying to compile VASP 5.3 with the routines from vtstcode and the recommended changes in the makefile (and after executing mkbdrpro.pl), the compiler complains about some arguments to chain_force in main..f90:

main.f90(2845): error #6633: The type of the actual argument differs from the type of the dummy argument. [IU6]
LATT_CUR%A,LATT_CUR%B,IO%IU6)
------------------------------------^
main.f90(2844): error #6631: A non-optional actual argument must be present when invoking a procedure with an explicit interface. [IU6]
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
-----------^
main.f90(2844): error #8284: If the actual argument is scalar, the dummy argument shall be scalar unless the actual argument is of type character or is an element of an array that is not assumed shape, pointer, or polymorphic. [B]
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
-----------^

Is there an additional change that is necessary? I'd be keen to try out the CI-NEB method, for which I assume the modified chain.F is necessary.

The platform is Intel MPI with ifort 12.1.0 on 64-bit Linux.

Thanks in advance,

Herbert

Did you make this change:

NOTE: in v2.04 and later versions, an additional modification to main.F is required for the solid-state NEB.
Find and replace:
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
LATT_CUR%A,LATT_CUR%B,IO%IU6)
with
CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, &
TSIF,LATT_CUR%A,LATT_CUR%B,IO%IU6)

Also, do do a make clean (or delete all your *.f90 *.o *.mod).