UT theoretical chemistry code forum

I followed the instructions for vtst tools 6.3 given in the installation section on the VTST homepage. I am modifying Vasp.6.4.2. After making the required changes in main.F, .objects, and the makefile, the compilation starts but shortly runs into an error. The compiler is intel oneapi. Any suggestions as to how to fix this?

Thanks!


neb.F(645): 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)
-----------^
neb.F(644): 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, &
-----------^
neb.F(663): 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)
-----------^
neb.F(662): 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 neb.f90 (code 1)
make[2]: *** [makefile:168: neb.o] Error 1
make[2]: *** Waiting for unfinished jobs....
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)
make[2]: *** [makefile:168: dynmat.o] Error 1
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c fock_glb.f90
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c ml_ff_iohandle.f90
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c ebs.f90
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c symmetry.f90
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c neb.f90
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/oneapi/mkl/2023.0.0/include/fftw -I/data/Software/Vasp/vasp.6.4.1/dftd4/source/build/_build/libdftd4.a.p -c dynmat.f90
neb.F(645): 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)
-----------^
neb.F(644): 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, &
-----------^
neb.F(663): 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)
-----------^
neb.F(662): 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 neb.f90 (code 1)
make[2]: *** [makefile:168: neb.o] Error 1
make[2]: *** Waiting for unfinished jobs....
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)
make[2]: *** [makefile:168: dynmat.o] Error 1

I should add that the oneapi version is the latest (as of this writing) version of the Intel oneapi compiler, specifically:

ifort (IFORT) 2021.10.0 20230609
Copyright (C) 1985-2023 Intel Corporation. All rights reserved.

I didn't encounter this error when I was using an earlier version of the 2022 version of the Intel compiler. Any suggestions as to how to fix the problem as it seems to be flagging a real declaration error?

I also tried an older version of the intel oneapi compiler I have (ifort (IFORT) 2021.10.0 20230609) and it flagged the same error.

Use the 6.4 version of the vtstcode for vasp.6.4.2.