UT theoretical chemistry code forum

Dear VTST team,

I try to compile the VASP 6.4.0 with the latest version of VTST (195). I have found that the poscar.F in 6.4.0 is different from 6.3.2. Here's the difference:

* For 6.3.2 (poscar.F)

SUBROUTINE RD_POSCAR(LATT_CUR, T_INFO, DYN, &
& NIOND,NIONPD, NTYPD,NTYPPD, &
& IU0,IU6)

* For 6.4.0 (poscar.F)

SUBROUTINE RD_POSCAR(LATT_CUR, T_INFO, DYN, NHC, &
& NIOND,NIONPD, NTYPD,NTYPPD, &
& IU0,IU6)

There is an additional NHC variable in RD_POSCAR. This will cause the following error in dynmat.F:

dynmat.F(258): error #6633: The type of the actual argument differs from the type of the dummy argument. [NIOND]
NIOND,NIONPD, NTYPD,NTYPPD,IO%IU0, IO%iu6)
-----------^
dynmat.F(257): error #6631: A non-optional actual argument must be present when invoking a procedure with an explicit interface. [IU6]
CALL RD_POSCAR(LATT_CUR, T_I, DYN, &
-----------^
compilation aborted for dynmat.f90 (code 1)

I would hope this issue can be reolved soon.

Best.

Thank you for your help. It turns out that the declaration for NHC was also missing and had to be inserted near the top of the subroutine definition:

TYPE(nh_chains) :: NHC


The same problem also existed with the source neb.F (missing NHC in RD_POSCAR) statement.