[DFTB-Plus-User] DFTB Plus compiling Error

gurinder singh singh_gurinder78 at yahoo.co.in
Sat Oct 11 15:05:30 CEST 2008


Hello Ben
              I have tried with your file but still the error is there. In the Makefile user i have specified the path where LAPACK and BLAS are there. Initially there is no error but in between and in the end it gives error like that
 
cpp -traditional -DDEBUG=0 -I/tmp/dftb/prg_dftb/../lib_dftb/ -I/tmp/dftb/prg_dftb/../includes
/tmp/dftb/prg_dftb/../lib_dftb/extcharge.F90 | /tmp/dftb/prg_dftb/../utils/fpp/fpp.sh noln2 >
extcharge.f90
gfortran -O3 -funroll-all-loops -o extcharge.o -c extcharge.f90
touch _mod_externalcharges
cpp -traditional -DDEBUG=0 -I/tmp/dftb/prg_dftb/../lib_dftb/ -I/tmp/dftb/prg_dftb/../includes
/tmp/dftb/prg_dftb/../lib_dftb/short_gamma.F90 | /tmp/dftb/prg_dftb/../utils/fpp/fpp.sh noln2 >
short_gamma.f90
gfortran -O3 -funroll-all-loops -o short_gamma.o -c short_gamma.f90
short_gamma.f90: In function ‘expgammadampedprime’:
short_gamma.f90:262: warning: Function return value not set
short_gamma.f90: In function ‘expgammadamped’:
short_gamma.f90:245: warning: Function return value not set
touch _mod_short_gamma
 
 
gfortran -O3 -funroll-all-loops -o m_dom_namednodemap.o -c
/tmp/dftb/prg_dftb/../ext_xmlf90/m_dom_namednodemap.f90
touch _mod_m_dom_namednodemap
gfortran -O3 -funroll-all-loops -o m_dom_error.o -c
/tmp/dftb/prg_dftb/../ext_xmlf90/m_dom_error.f90
touch _mod_m_dom_error
 
 
In file parser.f90:748
call getChildValue(child, "", 2, lr1, child=child2)
1
Error: Actual argument at (1) must be definable to match dummy INTENT = OUT/INOUT
In file parser.f90:792
call getChildValue(child2, "CoordsAndCharges", 4, lr1, &
1
Error: Actual argument at (1) must be definable to match dummy INTENT = OUT/INOUT
In file parser.f90:1153
call getChildValue(child, "", 4, lr1, modifier=modifier)
1
Error: Actual argument at (1) must be definable to match dummy INTENT = OUT/INOUT
make[1]: *** [parser.o] Error 1
 
Please suggest
Thanking You
Dr. Gurinder Singh
(P.hD Physics)


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