Compile VASP6.4.0 with latest VTST (195)

[jameshzd]

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.

[paulf]

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.