UT theoretical chemistry code forum

Hello there,

I just tried compiling VTST 2.04b with VASP 4.6.36 with Intel 12.1.1. When I do $make I get the following error with dimer.f90

Any help is appreciated. Has anyone encountered this problem. I tried searching the forum but didn't come up with much.

./preprocess <dimer.F | /usr/bin/cpp -P -C -traditional >dimer.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DMPI_BLOCK=500
mpif90 -FR -lowercase -assume byterecl -O2 -c dimer.f90
ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated'
dimer.f90(529): error #6460: This is not a field name that is defined in the encompassing structure. [TYPE]
IF (T_INFO%TYPE(1)/=' ') THEN
-----------------^
dimer.f90(529): error #6158: The structure-name is invalid or is missing. [T_INFO]
IF (T_INFO%TYPE(1)/=' ') THEN
----------^
compilation aborted for dimer.f90 (code 1)
make: *** [dimer.o] Error 1

This looks like a fix for the new POSCAR file form in vasp 5.2.x, but one that breaks vasp 4.x.

Try deleting the three lines in dimer.F:

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

I have similar problem with xlf90 compiler.

My fix is delete the following in dimer.F:
IF (T_INFO%TYPE(1)/=' ') THEN
WRITE(IU,'(20A5)') (T_INFO%TYPE(NT),NT=1,T_INFO%NTYP)
ENDIF

Also delete the PARAMETER EVTOJ line in chain.f, then replace the EVTOJ value with the real number.

Thank you!! That solved the problem!!