[DFTB-Plus-User] DFTB Plus compiling Error

Benjamin Hourahine benjamin.hourahine at strath.ac.uk
Sat Oct 11 16:07:55 CEST 2008


Hello Gurinder,

I will need you to identify exactly which gfortran version you are using,
and as much information as possible on the type of computer (in particular 
processor type and operating system). 

can you return the full output of 
gfortran --version

The code I sent compiles successfully using the 4.2.3 and 4.3.3 stable versions of
gfortran on an x86-64 system under a recent version of ubuntu. Depending on exactly
what your system set up is, I may be able to test it with that combination also.


Cheers

Ben

    Dr. B. Hourahine, Department of Physics, SUPA, University of Strathclyde,
      John Anderson Building, 107 Rottenrow, Glasgow G4 0NG, United Kingdom
    Ph +44 141 548 2325 FAX +44 141 552 2891 benjamin.hourahine at strath.ac.uk

The University of Strathclyde is a Scottish registered charitable body, number SC015263




-----Original Message-----
From: dftb-plus-user-bounces at dftb-plus.info on behalf of gurinder singh
Sent: Sat 11/10/2008 14:05
To: dftb-plus-user at dftb-plus.info
Subject: [DFTB-Plus-User] DFTB Plus compiling Error
 
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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