UT theoretical chemistry code forum

Dear Prof. Graeme and all,

I have a problem when I install VTST code with vasp4.6.
This is the error:

IF (T_INFO%TYPE(1)/=' ') THEN
1
Error: 'type' at (1) is not a member of the 'type_info' structure
dimer.f90:529.40:

WRITE(IU,'(20A5)') (T_INFO%TYPE(NT),NT=1,T_INFO%NTYP)
1
Error: 'type' at (1) is not a member of the 'type_info' structure
dimer.f90:530.9:

ENDIF
1
Error: Expecting END SUBROUTINE statement at (1)
make: *** [dimer.o] Error 1

Could you give comments to overcome this problem?

I am grateful to all your help.

With best wishes,
Loc.

Hi Loc,

That line is for printing element types within vasp.5.x. You can safely delete the lines:

IF (T_INFO%TYPE(1)/=' ') THEN
WRITE(IU,'(20A5)') (T_INFO%TYPE(NT),NT=1,T_INFO%NTYP)
ENDIF

Dear Prof. Graeme,

I overcome the problem of dimer.F with your suggestion.

However, I have another problem with bbm.F. The error is:
mpif90 -I/usr/include/ -I/usr/local/include -ffree-form -ffree-line-length-none -fconvert=little-endian -O3 -c bbm.f90
bbm.f90:343.25:

WRITE(IU6,'(A,9X,<NBAS>I5)') ' Bond-Boost: BALIST',BALIST(:)
1
Error: Unexpected element '<' in format string at (1)
make: *** [bbm.o] Error 1

I have searched from internet and found that this error may be from <NBAS> which should be change to real value. I do not know exactly how to fix it.

Thank you for your kind help.

With best wishes,
Loc.

Hi Loc,

Same as the dimer.F, you can can comment off that line in bbm.F. That line is for printing the list of Atoms that are tagged to apply boost potential.

WRITE(IU6,'(A,9X,<NBAS>I5)') ' Bond-Boost: BALIST',BALIST(:)

Hi Zhang,

It works well.
Thank you for your help.

With best wishes,